*HEADER    DE NOVO PROTEIN                         25-JAN-02   1KVG              
*TITLE     EPO-3 BETA HAIRPIN PEPTIDE                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN: EPO-3 RECEPTOR AGONIST;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT            
*SOURCE   4 IS A NOVEL SEQUENCE DERIVED FROM PHAGE-DISPLAY SELECTION.            
*KEYWDS    BETA HAIRPIN PEPTIDE                                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.J.SKELTON, S.RUSSELL, F.DE SAUVAGE, A.G.COCHRAN                     
*REVDAT   1   06-MAR-02 1KVG    0                                                
!BIOSYM restraint 1
!
!
#chiral
1:SERN_1:CA         S 
1:CYS_2:CA         R 
1:HIS_3:CA         S 
1:PHE_4:CA         S 
1:PRO_6:CA         S 
1:LEU_7:CA         S 
1:TRP_9:CA         S 
1:VAL_10:CA        S 
1:LYS_12:CA        S 
#NOE_distance 
! center averaged distance restraints
1:CYS_2:HA       1:CYS_11:HA       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  63    S_AA
1:CYS_2:HBR      1:CYS_11:HA       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  170   S_RA
1:HIS_3:HD2      1:GLY_5:HAR       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  197   S_AR
1:HIS_3:HD2      1:GLY_5:HAS       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  196   S_AS
1:HIS_3:HD2      1:VAL_10:HG1*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  126   S_A1
1:HIS_3:HD2      1:VAL_10:HG2*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  125   S_A2
1:HIS_3:HE1      1:VAL_10:HB       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  109   S_AA
1:HIS_3:HE1      1:VAL_10:HG1*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  116   S_A1
1:HIS_3:HE1      1:VAL_10:HG2*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  115   S_A2
1:HIS_3:HN       1:CYS_2:HA        -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  42    S_AA
1:HIS_3:HN       1:CYS_2:HBR       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  104   S_AR
1:HIS_3:HN       1:HIS_3:HA        -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  9     S_AA
1:HIS_3:HN       1:HIS_3:HD2       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  89    S_AA
1:HIS_3:HN       1:TRP_9:HE3       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  94    S_AA
1:HIS_3:HN       1:TRP_9:HZ3       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  93    S_AA
1:HIS_3:HN       1:VAL_10:HB       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  105   S_AA
1:HIS_3:HN       1:VAL_10:HG1*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  113   S_A1
1:HIS_3:HN       1:VAL_10:HG2*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  114   S_A2
1:PHE_4:HA       1:TRP_9:HA        -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  64    S_AA
1:PHE_4:HN       1:HIS_3:HD2       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  200   S_AA
1:PHE_4:HN       1:PHE_4:HA        -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  7     S_AA
1:PHE_4:HN       1:TRP_9:HE3       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  96    S_AA
1:PHE_4:HN       1:TRP_9:HZ3       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  97    S_AA
1:GLY_5:HAR      1:PRO_6:HDR       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  172   S_RR
1:GLY_5:HAR      1:PRO_6:HDS       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  173   S_RS
1:GLY_5:HAS      1:PRO_6:HDR       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  171   S_SR
1:GLY_5:HAS      1:PRO_6:HDS       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  174   S_SS
1:GLY_5:HAS      1:VAL_10:HG*      -1.000   8.300   5.500    25.00  25.00 1000.00 ! h150  186   S_S1
1:GLY_5:HN       1:PHE_4:HA        -1.000   3.500   3.500    25.00  25.00 1000.00 ! h150  52    S_AA
1:GLY_5:HN       1:TRP_9:HA        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  60    S_AA
1:GLY_5:HN       1:VAL_10:HG1*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  124   S_A1
1:GLY_5:HN       1:VAL_10:HG2*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  123   S_A2
1:LEU_7:HN       1:GLY_5:HAS       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  49    S_AS
1:LEU_7:HN       1:GLY_8:HN        -1.000   3.500   3.500    25.00  25.00 1000.00 ! h150  87    S_AA
1:LEU_7:HN       1:LEU_7:HA        -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  2     S_AA
1:LEU_7:HN       1:LEU_7:HD1*      -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  32    S_A1
1:LEU_7:HN       1:LEU_7:HD2*      -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  31    S_A2
1:LEU_7:HN       1:LEU_7:HG        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  37    S_AA
1:LEU_7:HN       1:PRO_6:HBR       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  108   S_AR
1:LEU_7:HN       1:PRO_6:HDR       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  51    S_AR
1:LEU_7:HN       1:PRO_6:HDS       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  50    S_AS
1:GLY_8:HN       1:GLY_5:HN        -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  62    S_AA
1:GLY_8:HN       1:GLY_8:HAR       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  12    S_AR
1:GLY_8:HN       1:PRO_6:HA        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  47    S_AA
1:TRP_9:HE3      1:PHE_4:HA        -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  146   S_AA
1:TRP_9:HN       1:GLY_8:HAS       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  44    S_AS
1:TRP_9:HN       1:TRP_9:HA        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  1     S_AA
1:TRP_9:HN       1:TRP_9:HD1       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  88    S_AA
1:TRP_9:HZ3      1:PHE_4:HA        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  145   S_AA
1:VAL_10:HN      1:CYS_2:HBR       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  106   S_AR
1:VAL_10:HN      1:HIS_3:HN        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  61    S_AA
1:VAL_10:HN      1:PHE_4:HA        -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  59    S_AA
1:VAL_10:HN      1:TRP_9:HA        -1.000   3.500   3.500    25.00  25.00 1000.00 ! h150  43    S_AA
1:VAL_10:HN      1:TRP_9:HE3       -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  95    S_AA
1:VAL_10:HN      1:VAL_10:HA       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  3     S_AA
1:VAL_10:HN      1:VAL_10:HB       -1.000   3.500   3.500    25.00  25.00 1000.00 ! h150  35    S_AA
1:CYS_11:HN      1:CYS_11:HA       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  8     S_AA
1:CYS_11:HN      1:VAL_10:HA       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  40    S_AA
1:CYS_11:HN      1:VAL_10:HG1*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  112   S_A1
1:CYS_11:HN      1:VAL_10:HG2*     -1.000   6.500   5.500    25.00  25.00 1000.00 ! h150  111   S_A2
1:LYS_12:HN      1:CYS_11:HA       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  41    S_AA
1:LYS_12:HN      1:LYS_12:HA       -1.000   4.400   4.400    25.00  25.00 1000.00 ! h150  10    S_AA
1:LYS_12:HN      1:NH2_13:HN2      -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  130   S_AA
1:LYS_12:HN      1:VAL_10:HG*      -1.000   8.300   5.500    25.00  25.00 1000.00 ! h150  117   S_A2
1:NH2_13:HN2     1:LYS_12:HA       -1.000   3.000   3.000    25.00  25.00 1000.00 ! h150  69    S_AA
1:NH2_13:HN2     1:LYS_12:HB1      -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  127   S_A1
1:NH2_13:HN2     1:LYS_12:HB2      -1.000   5.500   5.500    25.00  25.00 1000.00 ! h150  128   S_A2
!
#NOE_distance_overlapped
! 1/6r averaged distance restraints
!
1:PHE_4:HD*      1:GLY_8:HAR       -1.000   5.500            25.00  25.00 1000.00 ! h150  155   S_PR
1:PHE_4:HD*      1:TRP_9:HA        -1.000   5.500            25.00  25.00 1000.00 ! h150  144   S_PA
1:PHE_4:HN       1:HIS_3:HB*       -1.000   4.400            25.00  25.00 1000.00 ! h150  53    S_AQ
1:LYS_12:HN      1:LYS_12:HD*      -1.000   5.500            25.00  25.00 1000.00 ! h150  27    S_AQ
1:LYS_12:HN      1:LYS_12:HG*      -1.000   5.500            25.00  25.00 1000.00 ! h150  28    S_AQ
1:NH2_13:HN2     1:LYS_12:HG*      -1.000   5.500            25.00  25.00 1000.00 ! h150  122   S_AQ
!
#NMR_dihedral
! phi based on 3J(HN-HA)
1:SERN_1:C           1:CYS_2:N           1:CYS_2:CA          1:CYS_2:C           -160.0  -80.0  100.00 100.00 1000.0 
1:CYS_2:C           1:HIS_3:N           1:HIS_3:CA          1:HIS_3:C           -160.0   -80.0  100.00 100.00 1000.0 
1:HIS_3:C           1:PHE_4:N           1:PHE_4:CA          1:PHE_4:C           -170.0  -70.0  100.00 100.00 1000.0 
1:PRO_6:C           1:LEU_7:N           1:LEU_7:CA          1:LEU_7:C           -140.0  -100.0  100.00 100.00 1000.0 
1:LEU_7:C           1:GLY_8:N           1:GLY_8:CA          1:GLY_8:C              1.0   120.0  100.00 100.00 1000.0
1:GLY_8:C           1:TRP_9:N           1:TRP_9:CA          1:TRP_9:C           -110.0   -40.0  100.00 100.00 1000.0 
1:TRP_9:C           1:VAL_10:N          1:VAL_10:CA         1:VAL_10:C          -140.0  -100.0  100.00 100.00 1000.0 
1:VAL_10:C          1:CYS_11:N          1:CYS_11:CA         1:CYS_11:C          -140.0  -100.0  100.00 100.00 1000.0 
1:CYS_11:C          1:LYS_12:N          1:LYS_12:CA         1:LYS_12:C          -160.0   -80.0  100.00 100.00 1000.0 
!
! chi-1 based on 3J(HA-HB)
1:CYS_2:N           1:CYS_2:CA          1:CYS_2:CB          1:CYS_2:SG         -90.0   -30.0   100.00 100.00 1000.0
1:LEU_7:N           1:LEU_7:CA          1:LEU_7:CB          1:LEU_7:CG         -90.0   -30.0   100.00 100.00 1000.0
1:CYS_11:N          1:CYS_11:CA         1:CYS_11:CB         1:CYS_11:SG        -90.0   -30.0   100.00 100.00 1000.0
1:PHE_4:N           1:PHE_4:CA          1:PHE_4:CB          1:PHE_4:CG         150.0   -30.0   100.00 100.00 1000.0
!
! peptide bond planarity
1:SERN_1:CA          1:SERN_1:C           1:CYS_2:N           1:CYS_2:CA          170.0  -170.0  100.00 100.00 1000.0 
1:SERN_1:O           1:SERN_1:C           1:CYS_2:N           1:CYS_2:HN          170.0  -170.0  100.00 100.00 1000.0 
1:CYS_2:CA          1:CYS_2:C           1:HIS_3:N           1:HIS_3:CA          170.0  -170.0  100.00 100.00 1000.0 
1:CYS_2:O           1:CYS_2:C           1:HIS_3:N           1:HIS_3:HN          170.0  -170.0  100.00 100.00 1000.0 
1:HIS_3:CA          1:HIS_3:C           1:PHE_4:N           1:PHE_4:CA          170.0  -170.0  100.00 100.00 1000.0 
1:HIS_3:O           1:HIS_3:C           1:PHE_4:N           1:PHE_4:HN          170.0  -170.0  100.00 100.00 1000.0 
1:PHE_4:CA          1:PHE_4:C           1:GLY_5:N           1:GLY_5:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PHE_4:O           1:PHE_4:C           1:GLY_5:N           1:GLY_5:HN          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_5:CA          1:GLY_5:C           1:PRO_6:N           1:PRO_6:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PRO_6:CA          1:PRO_6:C           1:LEU_7:N           1:LEU_7:CA          170.0  -170.0  100.00 100.00 1000.0 
1:PRO_6:O           1:PRO_6:C           1:LEU_7:N           1:LEU_7:HN          170.0  -170.0  100.00 100.00 1000.0 
1:LEU_7:CA          1:LEU_7:C           1:GLY_8:N           1:GLY_8:CA          170.0  -170.0  100.00 100.00 1000.0 
1:LEU_7:O           1:LEU_7:C           1:GLY_8:N           1:GLY_8:HN          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_8:CA          1:GLY_8:C           1:TRP_9:N           1:TRP_9:CA          170.0  -170.0  100.00 100.00 1000.0 
1:GLY_8:O           1:GLY_8:C           1:TRP_9:N           1:TRP_9:HN          170.0  -170.0  100.00 100.00 1000.0 
1:TRP_9:CA          1:TRP_9:C           1:VAL_10:N          1:VAL_10:CA         170.0  -170.0  100.00 100.00 1000.0 
1:TRP_9:O           1:TRP_9:C           1:VAL_10:N          1:VAL_10:HN         170.0  -170.0  100.00 100.00 1000.0 
1:VAL_10:CA         1:VAL_10:C          1:CYS_11:N          1:CYS_11:CA         170.0  -170.0  100.00 100.00 1000.0 
1:VAL_10:O          1:VAL_10:C          1:CYS_11:N          1:CYS_11:HN         170.0  -170.0  100.00 100.00 1000.0 
1:CYS_11:CA         1:CYS_11:C          1:LYS_12:N          1:LYS_12:CA         170.0  -170.0  100.00 100.00 1000.0 
1:CYS_11:O          1:CYS_11:C          1:LYS_12:N          1:LYS_12:HN         170.0  -170.0  100.00 100.00 1000.0 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          H1        SER   1  -8.098  -1.787  -7.309
    2   2H    SER   1          H2        SER   1  -7.732  -0.514  -8.306
    3   3H    SER   1          H3        SER   1  -6.879  -1.921  -8.414
    4    HA   SER   1           HA       SER   1  -6.908  -0.085  -6.150
    5   1HB   SER   1          HB1       SER   1  -5.348  -2.678  -6.514
    6   2HB   SER   1          HB2       SER   1  -5.243  -1.581  -5.122
    7    HG   SER   1           HG       SER   1  -7.401  -2.029  -4.664
    8    H    CYS   2           H        CYS   2  -5.111   1.254  -5.957
    9    HA   CYS   2           HA       CYS   2  -2.884   1.046  -7.874
   10   1HB   CYS   2          HB1       CYS   2  -4.713   3.436  -7.563
   11   2HB   CYS   2          HB2       CYS   2  -3.032   3.597  -8.058
   12    H    HIS   3           H        HIS   3  -0.981   1.571  -6.990
   13    HA   HIS   3           HA       HIS   3  -0.711   2.752  -4.318
   14   1HB   HIS   3          HB1       HIS   3   0.236   0.567  -3.446
   15   2HB   HIS   3          HB2       HIS   3  -1.499   0.532  -3.741
   16    HD2  HIS   3           HD2      HIS   3   1.773  -1.091  -5.138
   17    HE1  HIS   3           HE1      HIS   3  -1.506  -2.739  -7.233
   18    HE2  HIS   3           HE2      HIS   3   1.013  -2.910  -6.851
   19    H    PHE   4           H        PHE   4   1.713   2.284  -3.629
   20    HA   PHE   4           HA       PHE   4   3.479   2.660  -6.000
   21   1HB   PHE   4          HB1       PHE   4   3.623   4.286  -4.116
   22   2HB   PHE   4          HB2       PHE   4   4.122   2.970  -3.055
   23    HD1  PHE   4           HD1      PHE   4   6.352   1.883  -3.364
   24    HD2  PHE   4           HD2      PHE   4   5.089   5.143  -5.891
   25    HE1  PHE   4           HE1      PHE   4   8.637   2.045  -4.307
   26    HE2  PHE   4           HE2      PHE   4   7.387   5.329  -6.794
   27    HZ   PHE   4           HZ       PHE   4   9.160   3.765  -6.023
   28    H    GLY   5           H        GLY   5   4.983   1.089  -6.532
   29   1HA   GLY   5          HA1       GLY   5   5.382  -1.267  -4.800
   30   2HA   GLY   5          HA2       GLY   5   4.573  -1.514  -6.363
   31    HA   PRO   6           HA       PRO   6   9.201  -2.095  -6.703
   32   1HB   PRO   6          HB1       PRO   6   8.079  -3.938  -8.831
   33   2HB   PRO   6          HB2       PRO   6   9.518  -4.174  -7.796
   34   1HG   PRO   6          HG1       PRO   6   7.194  -5.383  -7.133
   35   2HG   PRO   6          HG2       PRO   6   8.127  -4.533  -5.862
   36   1HD   PRO   6          HD1       PRO   6   5.715  -3.524  -7.390
   37   2HD   PRO   6          HD2       PRO   6   6.055  -3.445  -5.636
   38    H    LEU   7           H        LEU   7   6.859  -1.776  -9.422
   39    HA   LEU   7           HA       LEU   7   8.907  -0.386 -11.080
   40   1HB   LEU   7          HB1       LEU   7   6.142  -1.424 -11.789
   41   2HB   LEU   7          HB2       LEU   7   7.356  -0.789 -12.908
   42    HG   LEU   7           HG       LEU   7   7.590  -3.343 -11.248
   43   1HD1  LEU   7          HD11      LEU   7   5.979  -3.480 -13.110
   44   2HD1  LEU   7          HD12      LEU   7   7.227  -2.909 -14.239
   45   3HD1  LEU   7          HD13      LEU   7   7.414  -4.474 -13.419
   46   1HD2  LEU   7          HD21      LEU   7   9.508  -2.116 -13.282
   47   2HD2  LEU   7          HD22      LEU   7   9.833  -2.402 -11.556
   48   3HD2  LEU   7          HD23      LEU   7   9.621  -3.771 -12.649
   49    H    GLY   8           H        GLY   8   8.517   1.252  -9.160
   50   1HA   GLY   8          HA1       GLY   8   7.934   3.399  -8.661
   51   2HA   GLY   8          HA2       GLY   8   7.348   3.577 -10.323
   52    H    TRP   9           H        TRP   9   5.201   4.085 -10.418
   53    HA   TRP   9           HA       TRP   9   3.380   3.358  -8.218
   54   1HB   TRP   9          HB1       TRP   9   3.340   5.605  -9.304
   55   2HB   TRP   9          HB2       TRP   9   2.774   4.839 -10.789
   56    HD1  TRP   9           HD1      TRP   9   0.214   4.415 -10.935
   57    HE1  TRP   9           HE1      TRP   9  -1.804   4.713  -9.352
   58    HE3  TRP   9           HE3      TRP   9   2.712   5.428  -6.583
   59    HZ2  TRP   9           HZ2      TRP   9  -2.262   5.270  -6.573
   60    HZ3  TRP   9           HZ3      TRP   9   1.458   5.795  -4.480
   61    HH2  TRP   9           HH2      TRP   9  -1.023   5.710  -4.465
   62    H    VAL  10           H        VAL  10   2.088   1.599  -8.295
   63    HA   VAL  10           HA       VAL  10   1.870   0.017 -10.823
   64    HB   VAL  10           HB       VAL  10   2.362  -0.974  -7.981
   65   1HG1  VAL  10          HG11      VAL  10   2.060  -2.502 -10.607
   66   2HG1  VAL  10          HG12      VAL  10   2.551  -3.210  -9.055
   67   3HG1  VAL  10          HG13      VAL  10   0.925  -2.547  -9.241
   68   1HG2  VAL  10          HG21      VAL  10   4.149  -0.959 -10.446
   69   2HG2  VAL  10          HG22      VAL  10   4.428  -0.071  -8.932
   70   3HG2  VAL  10          HG23      VAL  10   4.503  -1.836  -8.943
   71    H    CYS  11           H        CYS  11  -0.141  -0.816 -11.239
   72    HA   CYS  11           HA       CYS  11  -2.255  -0.572  -9.166
   73   1HB   CYS  11          HB1       CYS  11  -2.512   0.141 -12.106
   74   2HB   CYS  11          HB2       CYS  11  -3.850   0.061 -10.967
   75    H    LYS  12           H        LYS  12  -3.834  -2.142  -9.241
   76    HA   LYS  12           HA       LYS  12  -3.494  -4.440 -11.083
   77   1HB   LYS  12          HB1       LYS  12  -3.418  -4.583  -8.035
   78   2HB   LYS  12          HB2       LYS  12  -3.675  -5.968  -9.111
   79   1HG   LYS  12          HG1       LYS  12  -1.462  -5.631 -10.141
   80   2HG   LYS  12          HG2       LYS  12  -1.194  -4.196  -9.147
   81   1HD   LYS  12          HD1       LYS  12   0.017  -6.004  -8.175
   82   2HD   LYS  12          HD2       LYS  12  -1.311  -5.567  -7.088
   83   1HE   LYS  12          HE1       LYS  12  -2.614  -7.520  -7.858
   84   2HE   LYS  12          HE2       LYS  12  -1.369  -7.898  -9.067
   85   1HZ   LYS  12          HZ1       LYS  12  -1.005  -7.921  -6.154
   86   2HZ   LYS  12          HZ2       LYS  12  -1.177  -9.244  -7.120
   87   3HZ   LYS  12          HZ3       LYS  12   0.153  -8.283  -7.270
   88   1HN   NH2  13          HN1       NH2  13  -6.961  -5.062 -10.735
   89   2HN   NH2  13          HN2       NH2  13  -5.424  -5.657 -11.326
  Start of MODEL    2
    1   1H    SER   1          H1        SER   1  -8.920   0.711  -8.155
    2   2H    SER   1          H2        SER   1  -7.720   1.300  -9.121
    3   3H    SER   1          H3        SER   1  -7.809  -0.317  -8.816
    4    HA   SER   1           HA       SER   1  -7.263   1.782  -6.863
    5   1HB   SER   1          HB1       SER   1  -7.306  -1.245  -6.509
    6   2HB   SER   1          HB2       SER   1  -6.814  -0.060  -5.279
    7    HG   SER   1           HG       SER   1  -9.366  -0.288  -6.498
    8    H    CYS   2           H        CYS   2  -5.118   2.191  -6.398
    9    HA   CYS   2           HA       CYS   2  -3.008   0.548  -7.635
   10   1HB   CYS   2          HB1       CYS   2  -3.155   3.558  -7.976
   11   2HB   CYS   2          HB2       CYS   2  -1.954   2.470  -8.679
   12    H    HIS   3           H        HIS   3  -0.845   1.231  -6.886
   13    HA   HIS   3           HA       HIS   3  -0.638   2.642  -4.339
   14   1HB   HIS   3          HB1       HIS   3   0.060   0.718  -3.065
   15   2HB   HIS   3          HB2       HIS   3  -1.547   0.384  -3.707
   16    HD2  HIS   3           HD2      HIS   3   1.622  -1.451  -3.264
   17    HE1  HIS   3           HE1      HIS   3   0.062  -3.017  -6.868
   18    HE2  HIS   3           HE2      HIS   3   1.808  -3.364  -5.038
   19    H    PHE   4           H        PHE   4   1.730   2.489  -3.576
   20    HA   PHE   4           HA       PHE   4   3.519   2.641  -5.906
   21   1HB   PHE   4          HB1       PHE   4   3.677   4.275  -4.048
   22   2HB   PHE   4          HB2       PHE   4   4.147   2.969  -2.959
   23    HD1  PHE   4           HD1      PHE   4   5.113   4.844  -6.047
   24    HD2  PHE   4           HD2      PHE   4   6.419   2.072  -3.012
   25    HE1  PHE   4           HE1      PHE   4   7.422   4.949  -6.940
   26    HE2  PHE   4           HE2      PHE   4   8.720   2.161  -3.928
   27    HZ   PHE   4           HZ       PHE   4   9.224   3.587  -5.900
   28    H    GLY   5           H        GLY   5   5.143   1.172  -6.380
   29   1HA   GLY   5          HA1       GLY   5   5.567  -1.227  -4.718
   30   2HA   GLY   5          HA2       GLY   5   4.801  -1.440  -6.307
   31    HA   PRO   6           HA       PRO   6   9.490  -1.484  -6.587
   32   1HB   PRO   6          HB1       PRO   6   9.774  -3.714  -8.176
   33   2HB   PRO   6          HB2       PRO   6   9.591  -3.766  -6.400
   34   1HG   PRO   6          HG1       PRO   6   7.424  -4.120  -8.483
   35   2HG   PRO   6          HG2       PRO   6   7.765  -5.157  -7.067
   36   1HD   PRO   6          HD1       PRO   6   5.839  -3.266  -7.001
   37   2HD   PRO   6          HD2       PRO   6   6.873  -3.532  -5.567
   38    H    LEU   7           H        LEU   7   7.005  -1.858  -9.132
   39    HA   LEU   7           HA       LEU   7   8.772  -0.521 -11.134
   40   1HB   LEU   7          HB1       LEU   7   6.072  -1.880 -11.445
   41   2HB   LEU   7          HB2       LEU   7   7.088  -1.241 -12.745
   42    HG   LEU   7           HG       LEU   7   7.786  -3.576 -10.903
   43   1HD1  LEU   7          HD11      LEU   7   5.997  -4.070 -12.528
   44   2HD1  LEU   7          HD12      LEU   7   7.033  -3.495 -13.852
   45   3HD1  LEU   7          HD13      LEU   7   7.490  -4.939 -12.924
   46   1HD2  LEU   7          HD21      LEU   7   9.306  -2.378 -13.263
   47   2HD2  LEU   7          HD22      LEU   7   9.857  -2.454 -11.573
   48   3HD2  LEU   7          HD23      LEU   7   9.675  -3.941 -12.506
   49    H    GLY   8           H        GLY   8   8.408   1.244  -9.334
   50   1HA   GLY   8          HA1       GLY   8   7.677   3.362  -8.935
   51   2HA   GLY   8          HA2       GLY   8   7.013   3.361 -10.578
   52    H    TRP   9           H        TRP   9   4.920   4.030 -10.442
   53    HA   TRP   9           HA       TRP   9   3.200   3.285  -8.174
   54   1HB   TRP   9          HB1       TRP   9   3.194   5.562  -9.123
   55   2HB   TRP   9          HB2       TRP   9   2.607   4.922 -10.657
   56    HD1  TRP   9           HD1      TRP   9   0.047   4.785 -10.878
   57    HE1  TRP   9           HE1      TRP   9  -1.980   5.081  -9.304
   58    HE3  TRP   9           HE3      TRP   9   2.505   5.078  -6.394
   59    HZ2  TRP   9           HZ2      TRP   9  -2.462   5.372  -6.497
   60    HZ3  TRP   9           HZ3      TRP   9   1.230   5.356  -4.291
   61    HH2  TRP   9           HH2      TRP   9  -1.248   5.491  -4.329
   62    H    VAL  10           H        VAL  10   2.367   1.281  -8.216
   63    HA   VAL  10           HA       VAL  10   1.915  -0.128 -10.791
   64    HB   VAL  10           HB       VAL  10   2.104  -1.126  -7.919
   65   1HG1  VAL  10          HG11      VAL  10   1.911  -2.648 -10.560
   66   2HG1  VAL  10          HG12      VAL  10   2.214  -3.373  -8.968
   67   3HG1  VAL  10          HG13      VAL  10   0.662  -2.596  -9.299
   68   1HG2  VAL  10          HG21      VAL  10   4.067  -1.248 -10.247
   69   2HG2  VAL  10          HG22      VAL  10   4.289  -0.352  -8.730
   70   3HG2  VAL  10          HG23      VAL  10   4.257  -2.119  -8.713
   71    H    CYS  11           H        CYS  11  -0.132  -0.369 -11.517
   72    HA   CYS  11           HA       CYS  11  -2.414   0.146  -9.681
   73   1HB   CYS  11          HB1       CYS  11  -2.111   0.294 -12.670
   74   2HB   CYS  11          HB2       CYS  11  -3.689   0.192 -11.883
   75    H    LYS  12           H        LYS  12  -3.811  -1.371  -9.143
   76    HA   LYS  12           HA       LYS  12  -3.034  -4.159  -9.645
   77   1HB   LYS  12          HB1       LYS  12  -5.023  -2.843  -7.762
   78   2HB   LYS  12          HB2       LYS  12  -4.646  -4.574  -7.789
   79   1HG   LYS  12          HG1       LYS  12  -2.335  -4.179  -7.227
   80   2HG   LYS  12          HG2       LYS  12  -2.520  -2.425  -7.337
   81   1HD   LYS  12          HD1       LYS  12  -4.054  -4.129  -5.333
   82   2HD   LYS  12          HD2       LYS  12  -2.477  -3.391  -5.004
   83   1HE   LYS  12          HE1       LYS  12  -3.427  -1.137  -5.528
   84   2HE   LYS  12          HE2       LYS  12  -5.026  -1.882  -5.714
   85   1HZ   LYS  12          HZ1       LYS  12  -3.390  -1.917  -3.285
   86   2HZ   LYS  12          HZ2       LYS  12  -4.716  -0.973  -3.551
   87   3HZ   LYS  12          HZ3       LYS  12  -4.877  -2.612  -3.454
   88   1HN   NH2  13          HN1       NH2  13  -5.419  -4.097 -12.379
   89   2HN   NH2  13          HN2       NH2  13  -3.752  -3.691 -12.008
  Start of MODEL    3
    1   1H    SER   1          H1        SER   1  -7.974   1.557  -5.133
    2   2H    SER   1          H2        SER   1  -8.912   2.699  -5.873
    3   3H    SER   1          H3        SER   1  -8.310   1.432  -6.742
    4    HA   SER   1           HA       SER   1  -7.105   3.389  -7.234
    5   1HB   SER   1          HB1       SER   1  -6.456   3.407  -4.254
    6   2HB   SER   1          HB2       SER   1  -5.771   4.499  -5.473
    7    HG   SER   1           HG       SER   1  -8.502   4.268  -4.741
    8    H    CYS   2           H        CYS   2  -4.789   3.409  -7.587
    9    HA   CYS   2           HA       CYS   2  -3.531   0.750  -7.413
   10   1HB   CYS   2          HB1       CYS   2  -2.619   3.338  -8.693
   11   2HB   CYS   2          HB2       CYS   2  -1.835   1.774  -8.867
   12    H    HIS   3           H        HIS   3  -0.904   1.206  -7.027
   13    HA   HIS   3           HA       HIS   3  -0.589   2.565  -4.402
   14   1HB   HIS   3          HB1       HIS   3   0.196   0.434  -3.422
   15   2HB   HIS   3          HB2       HIS   3  -1.498   0.350  -3.906
   16    HD2  HIS   3           HD2      HIS   3   1.972  -1.163  -4.937
   17    HE1  HIS   3           HE1      HIS   3  -1.048  -3.158  -7.116
   18    HE2  HIS   3           HE2      HIS   3   1.442  -3.133  -6.572
   19    H    PHE   4           H        PHE   4   1.701   2.307  -3.603
   20    HA   PHE   4           HA       PHE   4   3.637   2.628  -5.814
   21   1HB   PHE   4          HB1       PHE   4   3.897   2.912  -2.804
   22   2HB   PHE   4          HB2       PHE   4   5.216   3.113  -3.954
   23    HD1  PHE   4           HD1      PHE   4   5.011   4.879  -5.801
   24    HD2  PHE   4           HD2      PHE   4   2.426   4.773  -2.348
   25    HE1  PHE   4           HE1      PHE   4   4.348   7.233  -6.218
   26    HE2  PHE   4           HE2      PHE   4   1.783   7.131  -2.762
   27    HZ   PHE   4           HZ       PHE   4   2.729   8.359  -4.705
   28    H    GLY   5           H        GLY   5   4.766   0.935  -6.554
   29   1HA   GLY   5          HA1       GLY   5   5.395  -1.390  -4.811
   30   2HA   GLY   5          HA2       GLY   5   4.543  -1.632  -6.350
   31    HA   PRO   6           HA       PRO   6   9.180  -2.090  -6.810
   32   1HB   PRO   6          HB1       PRO   6   8.031  -3.857  -8.991
   33   2HB   PRO   6          HB2       PRO   6   9.520  -4.100  -8.029
   34   1HG   PRO   6          HG1       PRO   6   7.259  -5.392  -7.312
   35   2HG   PRO   6          HG2       PRO   6   8.222  -4.563  -6.051
   36   1HD   PRO   6          HD1       PRO   6   5.713  -3.582  -7.427
   37   2HD   PRO   6          HD2       PRO   6   6.144  -3.531  -5.693
   38    H    LEU   7           H        LEU   7   6.857  -1.756  -9.553
   39    HA   LEU   7           HA       LEU   7   8.840  -0.117 -11.060
   40   1HB   LEU   7          HB1       LEU   7   6.193  -1.320 -11.939
   41   2HB   LEU   7          HB2       LEU   7   7.389  -0.517 -12.964
   42    HG   LEU   7           HG       LEU   7   7.778  -3.149 -11.462
   43   1HD1  LEU   7          HD11      LEU   7   6.241  -3.293 -13.385
   44   2HD1  LEU   7          HD12      LEU   7   7.470  -2.549 -14.431
   45   3HD1  LEU   7          HD13      LEU   7   7.762  -4.145 -13.705
   46   1HD2  LEU   7          HD21      LEU   7   9.649  -1.641 -13.346
   47   2HD2  LEU   7          HD22      LEU   7   9.944  -2.013 -11.631
   48   3HD2  LEU   7          HD23      LEU   7   9.878  -3.320 -12.815
   49    H    GLY   8           H        GLY   8   8.291   1.357  -9.074
   50   1HA   GLY   8          HA1       GLY   8   7.574   3.429  -8.468
   51   2HA   GLY   8          HA2       GLY   8   7.072   3.674 -10.148
   52    H    TRP   9           H        TRP   9   4.923   4.050 -10.394
   53    HA   TRP   9           HA       TRP   9   3.029   3.446  -8.223
   54   1HB   TRP   9          HB1       TRP   9   3.106   5.657  -9.276
   55   2HB   TRP   9          HB2       TRP   9   2.705   4.948 -10.837
   56    HD1  TRP   9           HD1      TRP   9   0.248   5.161 -11.409
   57    HE1  TRP   9           HE1      TRP   9  -1.969   5.538 -10.140
   58    HE3  TRP   9           HE3      TRP   9   1.973   4.869  -6.593
   59    HZ2  TRP   9           HZ2      TRP   9  -2.854   5.731  -7.432
   60    HZ3  TRP   9           HZ3      TRP   9   0.404   5.117  -4.695
   61    HH2  TRP   9           HH2      TRP   9  -1.998   5.573  -5.099
   62    H    VAL  10           H        VAL  10   2.592   1.293  -8.242
   63    HA   VAL  10           HA       VAL  10   2.097  -0.145 -10.793
   64    HB   VAL  10           HB       VAL  10   2.640  -1.113  -7.956
   65   1HG1  VAL  10          HG11      VAL  10   2.332  -2.670 -10.564
   66   2HG1  VAL  10          HG12      VAL  10   2.902  -3.347  -9.025
   67   3HG1  VAL  10          HG13      VAL  10   1.245  -2.754  -9.160
   68   1HG2  VAL  10          HG21      VAL  10   4.368  -1.055 -10.465
   69   2HG2  VAL  10          HG22      VAL  10   4.645  -0.128  -8.975
   70   3HG2  VAL  10          HG23      VAL  10   4.794  -1.889  -8.958
   71    H    CYS  11           H        CYS  11   0.096  -0.850 -11.305
   72    HA   CYS  11           HA       CYS  11  -2.157  -0.456  -9.389
   73   1HB   CYS  11          HB1       CYS  11  -2.021  -0.811 -12.400
   74   2HB   CYS  11          HB2       CYS  11  -3.523  -0.789 -11.475
   75    H    LYS  12           H        LYS  12  -3.458  -2.125  -8.817
   76    HA   LYS  12           HA       LYS  12  -2.328  -4.790  -8.964
   77   1HB   LYS  12          HB1       LYS  12  -3.918  -5.408  -7.372
   78   2HB   LYS  12          HB2       LYS  12  -3.409  -3.785  -6.920
   79   1HG   LYS  12          HG1       LYS  12  -6.029  -4.560  -8.296
   80   2HG   LYS  12          HG2       LYS  12  -5.796  -4.132  -6.602
   81   1HD   LYS  12          HD1       LYS  12  -5.038  -1.840  -7.319
   82   2HD   LYS  12          HD2       LYS  12  -5.484  -2.272  -8.992
   83   1HE   LYS  12          HE1       LYS  12  -7.802  -2.710  -8.274
   84   2HE   LYS  12          HE2       LYS  12  -7.375  -2.260  -6.609
   85   1HZ   LYS  12          HZ1       LYS  12  -7.190  -0.501  -8.949
   86   2HZ   LYS  12          HZ2       LYS  12  -8.369  -0.458  -7.795
   87   3HZ   LYS  12          HZ3       LYS  12  -6.810  -0.096  -7.394
   88   1HN   NH2  13          HN1       NH2  13  -4.692  -6.579 -10.985
   89   2HN   NH2  13          HN2       NH2  13  -3.650  -6.714  -9.583
  Start of MODEL    4
    1   1H    SER   1          H1        SER   1  -6.725   3.265  -8.101
    2   2H    SER   1          H2        SER   1  -7.325   2.086  -9.088
    3   3H    SER   1          H3        SER   1  -8.228   2.641  -7.825
    4    HA   SER   1           HA       SER   1  -6.704   1.773  -6.251
    5   1HB   SER   1          HB1       SER   1  -7.107  -0.642  -6.659
    6   2HB   SER   1          HB2       SER   1  -8.557   0.352  -6.886
    7    HG   SER   1           HG       SER   1  -6.834  -0.535  -8.953
    8    H    CYS   2           H        CYS   2  -4.609   2.701  -6.593
    9    HA   CYS   2           HA       CYS   2  -2.688   0.761  -7.686
   10   1HB   CYS   2          HB1       CYS   2  -2.437   3.740  -8.229
   11   2HB   CYS   2          HB2       CYS   2  -1.435   2.451  -8.891
   12    H    HIS   3           H        HIS   3  -0.479   1.207  -6.982
   13    HA   HIS   3           HA       HIS   3  -0.198   2.609  -4.398
   14   1HB   HIS   3          HB1       HIS   3   0.497   0.514  -3.291
   15   2HB   HIS   3          HB2       HIS   3  -1.190   0.436  -3.804
   16    HD2  HIS   3           HD2      HIS   3   2.251  -1.241  -4.588
   17    HE1  HIS   3           HE1      HIS   3  -0.702  -3.158  -6.934
   18    HE2  HIS   3           HE2      HIS   3   1.747  -3.231  -6.215
   19    H    PHE   4           H        PHE   4   2.046   2.664  -3.709
   20    HA   PHE   4           HA       PHE   4   3.971   2.723  -5.889
   21   1HB   PHE   4          HB1       PHE   4   4.226   3.132  -2.898
   22   2HB   PHE   4          HB2       PHE   4   5.572   3.229  -4.027
   23    HD1  PHE   4           HD1      PHE   4   5.375   4.850  -6.043
   24    HD2  PHE   4           HD2      PHE   4   2.921   5.115  -2.504
   25    HE1  PHE   4           HE1      PHE   4   5.029   7.269  -6.460
   26    HE2  PHE   4           HE2      PHE   4   2.590   7.535  -2.922
   27    HZ   PHE   4           HZ       PHE   4   3.679   8.625  -4.873
   28    H    GLY   5           H        GLY   5   4.144   0.674  -6.711
   29   1HA   GLY   5          HA1       GLY   5   5.016  -1.605  -5.006
   30   2HA   GLY   5          HA2       GLY   5   4.502  -1.623  -6.702
   31    HA   PRO   6           HA       PRO   6   9.196  -1.597  -6.433
   32   1HB   PRO   6          HB1       PRO   6   9.670  -3.586  -8.284
   33   2HB   PRO   6          HB2       PRO   6   9.361  -3.876  -6.549
   34   1HG   PRO   6          HG1       PRO   6   7.363  -3.999  -8.819
   35   2HG   PRO   6          HG2       PRO   6   7.630  -5.202  -7.525
   36   1HD   PRO   6          HD1       PRO   6   5.646  -3.388  -7.356
   37   2HD   PRO   6          HD2       PRO   6   6.595  -3.793  -5.898
   38    H    LEU   7           H        LEU   7   6.985  -1.711  -9.251
   39    HA   LEU   7           HA       LEU   7   8.872  -0.052 -10.861
   40   1HB   LEU   7          HB1       LEU   7   6.302  -1.462 -11.652
   41   2HB   LEU   7          HB2       LEU   7   7.440  -0.648 -12.735
   42    HG   LEU   7           HG       LEU   7   8.010  -3.161 -11.093
   43   1HD1  LEU   7          HD11      LEU   7   6.458  -3.514 -12.975
   44   2HD1  LEU   7          HD12      LEU   7   7.621  -2.754 -14.085
   45   3HD1  LEU   7          HD13      LEU   7   8.027  -4.283 -13.275
   46   1HD2  LEU   7          HD21      LEU   7   9.753  -1.650 -13.093
   47   2HD2  LEU   7          HD22      LEU   7  10.094  -1.897 -11.364
   48   3HD2  LEU   7          HD23      LEU   7  10.098  -3.276 -12.466
   49    H    GLY   8           H        GLY   8   8.005   1.364  -8.759
   50   1HA   GLY   8          HA1       GLY   8   7.110   3.406  -8.265
   51   2HA   GLY   8          HA2       GLY   8   6.787   3.621  -9.996
   52    H    TRP   9           H        TRP   9   4.648   4.279 -10.074
   53    HA   TRP   9           HA       TRP   9   2.579   3.240  -8.347
   54   1HB   TRP   9          HB1       TRP   9   2.575   4.897 -10.878
   55   2HB   TRP   9          HB2       TRP   9   1.093   4.307 -10.129
   56    HD1  TRP   9           HD1      TRP   9   3.374   7.178  -9.959
   57    HE1  TRP   9           HE1      TRP   9   2.730   8.721  -7.985
   58    HE3  TRP   9           HE3      TRP   9   0.255   4.018  -7.412
   59    HZ2  TRP   9           HZ2      TRP   9   1.051   8.615  -5.677
   60    HZ3  TRP   9           HZ3      TRP   9  -0.846   4.771  -5.321
   61    HH2  TRP   9           HH2      TRP   9  -0.451   7.055  -4.445
   62    H    VAL  10           H        VAL  10   2.358   1.083  -8.406
   63    HA   VAL  10           HA       VAL  10   1.871  -0.332 -10.983
   64    HB   VAL  10           HB       VAL  10   2.427  -1.311  -8.151
   65   1HG1  VAL  10          HG11      VAL  10   1.863  -2.898 -10.697
   66   2HG1  VAL  10          HG12      VAL  10   2.452  -3.583  -9.168
   67   3HG1  VAL  10          HG13      VAL  10   0.844  -2.857  -9.242
   68   1HG2  VAL  10          HG21      VAL  10   4.022  -1.487 -10.748
   69   2HG2  VAL  10          HG22      VAL  10   4.440  -0.497  -9.336
   70   3HG2  VAL  10          HG23      VAL  10   4.474  -2.260  -9.217
   71    H    CYS  11           H        CYS  11  -0.198  -0.679 -11.530
   72    HA   CYS  11           HA       CYS  11  -2.345   0.002  -9.610
   73   1HB   CYS  11          HB1       CYS  11  -2.253  -0.139 -12.615
   74   2HB   CYS  11          HB2       CYS  11  -3.732   0.114 -11.680
   75    H    LYS  12           H        LYS  12  -3.921  -1.353  -9.036
   76    HA   LYS  12           HA       LYS  12  -4.292  -3.964 -10.261
   77   1HB   LYS  12          HB1       LYS  12  -2.363  -4.392  -8.770
   78   2HB   LYS  12          HB2       LYS  12  -3.237  -3.685  -7.409
   79   1HG   LYS  12          HG1       LYS  12  -3.267  -6.100  -7.279
   80   2HG   LYS  12          HG2       LYS  12  -4.913  -5.508  -7.526
   81   1HD   LYS  12          HD1       LYS  12  -4.811  -6.144  -9.914
   82   2HD   LYS  12          HD2       LYS  12  -3.094  -6.558  -9.746
   83   1HE   LYS  12          HE1       LYS  12  -4.438  -8.584  -9.742
   84   2HE   LYS  12          HE2       LYS  12  -3.699  -8.366  -8.146
   85   1HZ   LYS  12          HZ1       LYS  12  -6.459  -7.668  -8.872
   86   2HZ   LYS  12          HZ2       LYS  12  -5.994  -8.995  -8.010
   87   3HZ   LYS  12          HZ3       LYS  12  -5.783  -7.488  -7.379
   88   1HN   NH2  13          HN1       NH2  13  -7.537  -2.843  -9.370
   89   2HN   NH2  13          HN2       NH2  13  -6.400  -3.182 -10.659
  Start of MODEL    5
    1   1H    SER   1          H1        SER   1  -6.829  -0.650  -8.728
    2   2H    SER   1          H2        SER   1  -6.657  -1.199  -7.185
    3   3H    SER   1          H3        SER   1  -8.009  -0.349  -7.613
    4    HA   SER   1           HA       SER   1  -6.720   1.591  -8.034
    5   1HB   SER   1          HB1       SER   1  -7.726   1.257  -5.803
    6   2HB   SER   1          HB2       SER   1  -6.262   0.417  -5.255
    7    HG   SER   1           HG       SER   1  -5.114   2.339  -5.542
    8    H    CYS   2           H        CYS   2  -4.706   2.704  -7.877
    9    HA   CYS   2           HA       CYS   2  -2.302   1.003  -8.124
   10   1HB   CYS   2          HB1       CYS   2  -2.901   3.853  -8.828
   11   2HB   CYS   2          HB2       CYS   2  -1.246   3.308  -8.536
   12    H    HIS   3           H        HIS   3  -0.435   1.473  -7.005
   13    HA   HIS   3           HA       HIS   3  -0.479   2.781  -4.392
   14   1HB   HIS   3          HB1       HIS   3  -0.013   0.609  -3.241
   15   2HB   HIS   3          HB2       HIS   3  -1.654   0.696  -3.885
   16    HD2  HIS   3           HD2      HIS   3   1.722  -1.195  -4.590
   17    HE1  HIS   3           HE1      HIS   3  -1.287  -2.912  -7.001
   18    HE2  HIS   3           HE2      HIS   3   1.139  -3.122  -6.257
   19    H    PHE   4           H        PHE   4   1.774   2.595  -3.442
   20    HA   PHE   4           HA       PHE   4   3.759   2.689  -5.549
   21   1HB   PHE   4          HB1       PHE   4   3.941   4.124  -3.580
   22   2HB   PHE   4          HB2       PHE   4   4.125   2.708  -2.541
   23    HD1  PHE   4           HD1      PHE   4   5.656   4.538  -5.435
   24    HD2  PHE   4           HD2      PHE   4   6.268   1.591  -2.345
   25    HE1  PHE   4           HE1      PHE   4   8.031   4.317  -6.110
   26    HE2  PHE   4           HE2      PHE   4   8.637   1.366  -3.035
   27    HZ   PHE   4           HZ       PHE   4   9.519   2.716  -4.926
   28    H    GLY   5           H        GLY   5   5.007   1.062  -6.301
   29   1HA   GLY   5          HA1       GLY   5   5.481  -1.398  -4.757
   30   2HA   GLY   5          HA2       GLY   5   4.560  -1.544  -6.273
   31    HA   PRO   6           HA       PRO   6   9.175  -2.105  -6.908
   32   1HB   PRO   6          HB1       PRO   6   7.920  -3.852  -9.046
   33   2HB   PRO   6          HB2       PRO   6   9.432  -4.122  -8.131
   34   1HG   PRO   6          HG1       PRO   6   7.169  -5.376  -7.352
   35   2HG   PRO   6          HG2       PRO   6   8.187  -4.573  -6.117
   36   1HD   PRO   6          HD1       PRO   6   5.660  -3.528  -7.414
   37   2HD   PRO   6          HD2       PRO   6   6.137  -3.509  -5.692
   38    H    LEU   7           H        LEU   7   6.743  -1.758  -9.554
   39    HA   LEU   7           HA       LEU   7   8.669  -0.121 -11.135
   40   1HB   LEU   7          HB1       LEU   7   5.992  -1.324 -11.917
   41   2HB   LEU   7          HB2       LEU   7   7.148  -0.518 -12.985
   42    HG   LEU   7           HG       LEU   7   7.596  -3.152 -11.502
   43   1HD1  LEU   7          HD11      LEU   7   5.986  -3.295 -13.365
   44   2HD1  LEU   7          HD12      LEU   7   7.174  -2.549 -14.457
   45   3HD1  LEU   7          HD13      LEU   7   7.495  -4.145 -13.744
   46   1HD2  LEU   7          HD21      LEU   7   9.392  -1.640 -13.454
   47   2HD2  LEU   7          HD22      LEU   7   9.753  -2.014 -11.752
   48   3HD2  LEU   7          HD23      LEU   7   9.642  -3.320 -12.934
   49    H    GLY   8           H        GLY   8   8.146   1.309  -9.075
   50   1HA   GLY   8          HA1       GLY   8   7.485   3.392  -8.459
   51   2HA   GLY   8          HA2       GLY   8   6.930   3.650 -10.119
   52    H    TRP   9           H        TRP   9   4.766   3.904 -10.384
   53    HA   TRP   9           HA       TRP   9   2.953   3.421  -8.094
   54   1HB   TRP   9          HB1       TRP   9   3.223   5.666  -9.137
   55   2HB   TRP   9          HB2       TRP   9   2.561   5.033 -10.637
   56    HD1  TRP   9           HD1      TRP   9   0.127   5.693 -10.884
   57    HE1  TRP   9           HE1      TRP   9  -1.864   6.243  -9.333
   58    HE3  TRP   9           HE3      TRP   9   2.344   4.856  -6.333
   59    HZ2  TRP   9           HZ2      TRP   9  -2.429   6.256  -6.536
   60    HZ3  TRP   9           HZ3      TRP   9   1.048   5.151  -4.252
   61    HH2  TRP   9           HH2      TRP   9  -1.341   5.821  -4.337
   62    H    VAL  10           H        VAL  10   2.479   1.264  -8.202
   63    HA   VAL  10           HA       VAL  10   1.880  -0.028 -10.798
   64    HB   VAL  10           HB       VAL  10   2.426  -1.145  -8.010
   65   1HG1  VAL  10          HG11      VAL  10   2.181  -2.540 -10.712
   66   2HG1  VAL  10          HG12      VAL  10   2.754  -3.302  -9.214
   67   3HG1  VAL  10          HG13      VAL  10   1.087  -2.733  -9.324
   68   1HG2  VAL  10          HG21      VAL  10   4.206  -0.902 -10.463
   69   2HG2  VAL  10          HG22      VAL  10   4.434  -0.070  -8.909
   70   3HG2  VAL  10          HG23      VAL  10   4.610  -1.826  -9.001
   71    H    CYS  11           H        CYS  11  -0.148  -0.697 -11.311
   72    HA   CYS  11           HA       CYS  11  -2.330  -0.706  -9.265
   73   1HB   CYS  11          HB1       CYS  11  -2.276  -0.391 -12.261
   74   2HB   CYS  11          HB2       CYS  11  -3.681  -1.086 -11.466
   75    H    LYS  12           H        LYS  12  -3.335  -2.494  -8.735
   76    HA   LYS  12           HA       LYS  12  -2.169  -5.082  -9.492
   77   1HB   LYS  12          HB1       LYS  12  -3.835  -5.954  -7.829
   78   2HB   LYS  12          HB2       LYS  12  -2.591  -4.880  -7.200
   79   1HG   LYS  12          HG1       LYS  12  -4.133  -3.025  -7.018
   80   2HG   LYS  12          HG2       LYS  12  -5.405  -3.927  -7.869
   81   1HD   LYS  12          HD1       LYS  12  -5.488  -5.556  -6.009
   82   2HD   LYS  12          HD2       LYS  12  -4.136  -4.729  -5.213
   83   1HE   LYS  12          HE1       LYS  12  -6.220  -4.056  -4.159
   84   2HE   LYS  12          HE2       LYS  12  -5.513  -2.668  -5.004
   85   1HZ   LYS  12          HZ1       LYS  12  -7.681  -4.375  -6.013
   86   2HZ   LYS  12          HZ2       LYS  12  -7.858  -2.864  -5.378
   87   3HZ   LYS  12          HZ3       LYS  12  -7.043  -3.072  -6.795
   88   1HN   NH2  13          HN1       NH2  13  -4.420  -5.061 -12.324
   89   2HN   NH2  13          HN2       NH2  13  -2.858  -4.438 -11.818
  Start of MODEL    6
    1   1H    SER   1          H1        SER   1  -5.995  -0.551  -5.552
    2   2H    SER   1          H2        SER   1  -6.314  -2.165  -5.450
    3   3H    SER   1          H3        SER   1  -4.892  -1.568  -4.865
    4    HA   SER   1           HA       SER   1  -4.564  -2.692  -6.924
    5   1HB   SER   1          HB1       SER   1  -5.505  -1.657  -8.999
    6   2HB   SER   1          HB2       SER   1  -6.726  -2.375  -7.931
    7    HG   SER   1           HG       SER   1  -7.339  -0.302  -8.667
    8    H    CYS   2           H        CYS   2  -5.071   0.840  -7.127
    9    HA   CYS   2           HA       CYS   2  -2.360   1.361  -8.108
   10   1HB   CYS   2          HB1       CYS   2  -4.681   3.147  -7.438
   11   2HB   CYS   2          HB2       CYS   2  -3.147   3.676  -8.124
   12    H    HIS   3           H        HIS   3  -0.852   0.901  -6.651
   13    HA   HIS   3           HA       HIS   3  -0.608   2.710  -4.319
   14   1HB   HIS   3          HB1       HIS   3   0.136   0.919  -2.899
   15   2HB   HIS   3          HB2       HIS   3  -1.452   0.469  -3.525
   16    HD2  HIS   3           HD2      HIS   3   1.873  -1.135  -3.005
   17    HE1  HIS   3           HE1      HIS   3   0.275  -3.118  -6.382
   18    HE2  HIS   3           HE2      HIS   3   2.117  -3.186  -4.610
   19    H    PHE   4           H        PHE   4   1.767   2.749  -3.612
   20    HA   PHE   4           HA       PHE   4   3.518   2.735  -5.964
   21   1HB   PHE   4          HB1       PHE   4   3.653   4.484  -4.189
   22   2HB   PHE   4          HB2       PHE   4   4.225   3.254  -3.062
   23    HD1  PHE   4           HD1      PHE   4   6.479   2.211  -3.382
   24    HD2  PHE   4           HD2      PHE   4   5.038   5.281  -6.050
   25    HE1  PHE   4           HE1      PHE   4   8.723   2.371  -4.420
   26    HE2  PHE   4           HE2      PHE   4   7.296   5.467  -7.049
   27    HZ   PHE   4           HZ       PHE   4   9.137   3.997  -6.253
   28    H    GLY   5           H        GLY   5   4.977   1.139  -6.479
   29   1HA   GLY   5          HA1       GLY   5   5.589  -1.040  -4.582
   30   2HA   GLY   5          HA2       GLY   5   4.677  -1.449  -6.050
   31    HA   PRO   6           HA       PRO   6   9.276  -1.957  -6.684
   32   1HB   PRO   6          HB1       PRO   6   8.052  -3.936  -8.626
   33   2HB   PRO   6          HB2       PRO   6   9.562  -4.090  -7.681
   34   1HG   PRO   6          HG1       PRO   6   7.312  -5.291  -6.788
   35   2HG   PRO   6          HG2       PRO   6   8.312  -4.352  -5.637
   36   1HD   PRO   6          HD1       PRO   6   5.782  -3.476  -7.051
   37   2HD   PRO   6          HD2       PRO   6   6.241  -3.282  -5.333
   38    H    LEU   7           H        LEU   7   6.769  -1.818  -9.267
   39    HA   LEU   7           HA       LEU   7   8.693  -0.496 -11.119
   40   1HB   LEU   7          HB1       LEU   7   5.905  -1.601 -11.604
   41   2HB   LEU   7          HB2       LEU   7   7.041  -1.012 -12.826
   42    HG   LEU   7           HG       LEU   7   7.412  -3.472 -11.052
   43   1HD1  LEU   7          HD11      LEU   7   5.692  -3.726 -12.801
   44   2HD1  LEU   7          HD12      LEU   7   6.858  -3.200 -14.034
   45   3HD1  LEU   7          HD13      LEU   7   7.119  -4.718 -13.147
   46   1HD2  LEU   7          HD21      LEU   7   9.183  -2.333 -13.263
   47   2HD2  LEU   7          HD22      LEU   7   9.618  -2.523 -11.548
   48   3HD2  LEU   7          HD23      LEU   7   9.358  -3.951 -12.553
   49    H    GLY   8           H        GLY   8   8.392   1.225  -9.256
   50   1HA   GLY   8          HA1       GLY   8   7.796   3.372  -8.791
   51   2HA   GLY   8          HA2       GLY   8   7.167   3.492 -10.443
   52    H    TRP   9           H        TRP   9   5.010   3.915 -10.553
   53    HA   TRP   9           HA       TRP   9   3.239   3.306  -8.266
   54   1HB   TRP   9          HB1       TRP   9   3.197   5.526  -9.400
   55   2HB   TRP   9          HB2       TRP   9   2.614   4.734 -10.865
   56    HD1  TRP   9           HD1      TRP   9   0.054   4.580 -11.039
   57    HE1  TRP   9           HE1      TRP   9  -1.956   4.918  -9.451
   58    HE3  TRP   9           HE3      TRP   9   2.569   5.125  -6.612
   59    HZ2  TRP   9           HZ2      TRP   9  -2.400   5.372  -6.655
   60    HZ3  TRP   9           HZ3      TRP   9   1.320   5.479  -4.503
   61    HH2  TRP   9           HH2      TRP   9  -1.159   5.595  -4.514
   62    H    VAL  10           H        VAL  10   1.944   1.565  -8.265
   63    HA   VAL  10           HA       VAL  10   1.832  -0.189 -10.685
   64    HB   VAL  10           HB       VAL  10   2.143  -0.925  -7.743
   65   1HG1  VAL  10          HG11      VAL  10   2.055  -2.663 -10.251
   66   2HG1  VAL  10          HG12      VAL  10   2.425  -3.229  -8.609
   67   3HG1  VAL  10          HG13      VAL  10   0.814  -2.608  -8.981
   68   1HG2  VAL  10          HG21      VAL  10   4.094  -1.052 -10.080
   69   2HG2  VAL  10          HG22      VAL  10   4.252  -0.050  -8.623
   70   3HG2  VAL  10          HG23      VAL  10   4.360  -1.808  -8.498
   71    H    CYS  11           H        CYS  11  -0.207  -0.059 -11.427
   72    HA   CYS  11           HA       CYS  11  -2.540  -0.109  -9.558
   73   1HB   CYS  11          HB1       CYS  11  -2.251   0.622 -12.459
   74   2HB   CYS  11          HB2       CYS  11  -3.807   0.348 -11.674
   75    H    LYS  12           H        LYS  12  -2.225  -2.205  -8.879
   76    HA   LYS  12           HA       LYS  12  -2.233  -4.423 -10.777
   77   1HB   LYS  12          HB1       LYS  12  -1.003  -4.432  -8.619
   78   2HB   LYS  12          HB2       LYS  12  -2.541  -4.386  -7.745
   79   1HG   LYS  12          HG1       LYS  12  -3.175  -6.558  -8.816
   80   2HG   LYS  12          HG2       LYS  12  -1.631  -6.563  -9.691
   81   1HD   LYS  12          HD1       LYS  12  -0.413  -6.552  -7.520
   82   2HD   LYS  12          HD2       LYS  12  -1.958  -6.595  -6.653
   83   1HE   LYS  12          HE1       LYS  12  -0.960  -8.731  -8.598
   84   2HE   LYS  12          HE2       LYS  12  -0.879  -8.832  -6.831
   85   1HZ   LYS  12          HZ1       LYS  12  -3.260  -8.705  -6.770
   86   2HZ   LYS  12          HZ2       LYS  12  -3.338  -8.648  -8.416
   87   3HZ   LYS  12          HZ3       LYS  12  -2.756  -9.994  -7.665
   88   1HN   NH2  13          HN1       NH2  13  -5.781  -4.079 -11.246
   89   2HN   NH2  13          HN2       NH2  13  -4.215  -3.631 -11.901
  Start of MODEL    7
    1   1H    SER   1          H1        SER   1  -6.069  -1.282  -8.311
    2   2H    SER   1          H2        SER   1  -5.139  -2.636  -8.180
    3   3H    SER   1          H3        SER   1  -6.531  -2.511  -7.310
    4    HA   SER   1           HA       SER   1  -5.688  -0.695  -6.061
    5   1HB   SER   1          HB1       SER   1  -3.884  -3.146  -5.994
    6   2HB   SER   1          HB2       SER   1  -4.066  -1.944  -4.704
    7    HG   SER   1           HG       SER   1  -6.290  -2.504  -4.627
    8    H    CYS   2           H        CYS   2  -4.809   1.149  -6.822
    9    HA   CYS   2           HA       CYS   2  -2.156   1.228  -8.145
   10   1HB   CYS   2          HB1       CYS   2  -4.199   3.350  -7.511
   11   2HB   CYS   2          HB2       CYS   2  -2.643   3.612  -8.300
   12    H    HIS   3           H        HIS   3  -0.454   1.086  -6.862
   13    HA   HIS   3           HA       HIS   3  -0.278   2.713  -4.395
   14   1HB   HIS   3          HB1       HIS   3   0.477   0.732  -3.115
   15   2HB   HIS   3          HB2       HIS   3  -1.204   0.592  -3.630
   16    HD2  HIS   3           HD2      HIS   3   2.316  -0.933  -4.590
   17    HE1  HIS   3           HE1      HIS   3  -0.738  -3.372  -6.204
   18    HE2  HIS   3           HE2      HIS   3   1.787  -3.140  -5.893
   19    H    PHE   4           H        PHE   4   1.962   2.715  -3.549
   20    HA   PHE   4           HA       PHE   4   3.940   2.928  -5.666
   21   1HB   PHE   4          HB1       PHE   4   4.202   3.116  -2.646
   22   2HB   PHE   4          HB2       PHE   4   5.458   3.508  -3.817
   23    HD1  PHE   4           HD1      PHE   4   4.876   5.307  -5.636
   24    HD2  PHE   4           HD2      PHE   4   2.720   4.839  -1.927
   25    HE1  PHE   4           HE1      PHE   4   3.953   7.596  -5.877
   26    HE2  PHE   4           HE2      PHE   4   1.824   7.137  -2.163
   27    HZ   PHE   4           HZ       PHE   4   2.424   8.513  -4.145
   28    H    GLY   5           H        GLY   5   4.295   0.947  -6.585
   29   1HA   GLY   5          HA1       GLY   5   5.036  -1.406  -4.897
   30   2HA   GLY   5          HA2       GLY   5   4.440  -1.404  -6.564
   31    HA   PRO   6           HA       PRO   6   9.137  -1.665  -6.456
   32   1HB   PRO   6          HB1       PRO   6   9.425  -3.783  -8.198
   33   2HB   PRO   6          HB2       PRO   6   9.159  -3.954  -6.440
   34   1HG   PRO   6          HG1       PRO   6   7.081  -4.085  -8.636
   35   2HG   PRO   6          HG2       PRO   6   7.319  -5.225  -7.281
   36   1HD   PRO   6          HD1       PRO   6   5.454  -3.281  -7.162
   37   2HD   PRO   6          HD2       PRO   6   6.423  -3.666  -5.712
   38    H    LEU   7           H        LEU   7   6.834  -1.849  -9.201
   39    HA   LEU   7           HA       LEU   7   8.738  -0.363 -10.953
   40   1HB   LEU   7          HB1       LEU   7   6.106  -1.732 -11.599
   41   2HB   LEU   7          HB2       LEU   7   7.236  -1.011 -12.754
   42    HG   LEU   7           HG       LEU   7   7.784  -3.442 -10.987
   43   1HD1  LEU   7          HD11      LEU   7   6.170  -3.858 -12.805
   44   2HD1  LEU   7          HD12      LEU   7   7.322  -3.196 -13.986
   45   3HD1  LEU   7          HD13      LEU   7   7.708  -4.687 -13.101
   46   1HD2  LEU   7          HD21      LEU   7   9.510  -2.097 -13.115
   47   2HD2  LEU   7          HD22      LEU   7   9.893  -2.260 -11.385
   48   3HD2  LEU   7          HD23      LEU   7   9.827  -3.696 -12.410
   49    H    GLY   8           H        GLY   8   8.024   1.210  -8.947
   50   1HA   GLY   8          HA1       GLY   8   7.349   3.362  -8.638
   51   2HA   GLY   8          HA2       GLY   8   6.852   3.414 -10.337
   52    H    TRP   9           H        TRP   9   4.730   3.976 -10.486
   53    HA   TRP   9           HA       TRP   9   2.862   3.417  -8.286
   54   1HB   TRP   9          HB1       TRP   9   3.043   5.633  -9.377
   55   2HB   TRP   9          HB2       TRP   9   2.468   4.932 -10.885
   56    HD1  TRP   9           HD1      TRP   9  -0.011   5.366 -11.229
   57    HE1  TRP   9           HE1      TRP   9  -2.076   5.855  -9.754
   58    HE3  TRP   9           HE3      TRP   9   2.119   4.850  -6.594
   59    HZ2  TRP   9           HZ2      TRP   9  -2.699   6.033  -6.975
   60    HZ3  TRP   9           HZ3      TRP   9   0.747   5.144  -4.560
   61    HH2  TRP   9           HH2      TRP   9  -1.652   5.747  -4.733
   62    H    VAL  10           H        VAL  10   2.351   1.283  -8.302
   63    HA   VAL  10           HA       VAL  10   1.869  -0.134 -10.857
   64    HB   VAL  10           HB       VAL  10   2.367  -1.107  -8.017
   65   1HG1  VAL  10          HG11      VAL  10   2.050  -2.653 -10.631
   66   2HG1  VAL  10          HG12      VAL  10   2.635  -3.331  -9.098
   67   3HG1  VAL  10          HG13      VAL  10   0.972  -2.742  -9.219
   68   1HG2  VAL  10          HG21      VAL  10   4.093  -1.056 -10.532
   69   2HG2  VAL  10          HG22      VAL  10   4.380  -0.136  -9.042
   70   3HG2  VAL  10          HG23      VAL  10   4.525  -1.896  -9.030
   71    H    CYS  11           H        CYS  11  -0.159  -0.064 -11.523
   72    HA   CYS  11           HA       CYS  11  -2.480  -0.167  -9.663
   73   1HB   CYS  11          HB1       CYS  11  -2.174   0.570 -12.565
   74   2HB   CYS  11          HB2       CYS  11  -3.728   0.384 -11.754
   75    H    LYS  12           H        LYS  12  -2.801  -2.236  -9.085
   76    HA   LYS  12           HA       LYS  12  -2.779  -4.439 -11.041
   77   1HB   LYS  12          HB1       LYS  12  -3.636  -4.220  -8.129
   78   2HB   LYS  12          HB2       LYS  12  -3.713  -5.711  -9.070
   79   1HG   LYS  12          HG1       LYS  12  -1.149  -4.156  -8.514
   80   2HG   LYS  12          HG2       LYS  12  -1.737  -5.552  -7.596
   81   1HD   LYS  12          HD1       LYS  12  -1.771  -6.839  -9.828
   82   2HD   LYS  12          HD2       LYS  12  -0.806  -5.508 -10.493
   83   1HE   LYS  12          HE1       LYS  12  -0.073  -7.260  -8.100
   84   2HE   LYS  12          HE2       LYS  12   0.606  -7.382  -9.731
   85   1HZ   LYS  12          HZ1       LYS  12   1.475  -5.183  -9.477
   86   2HZ   LYS  12          HZ2       LYS  12   0.852  -5.062  -7.955
   87   3HZ   LYS  12          HZ3       LYS  12   2.030  -6.169  -8.277
   88   1HN   NH2  13          HN1       NH2  13  -5.974  -3.290 -12.236
   89   2HN   NH2  13          HN2       NH2  13  -4.245  -3.121 -12.491
  Start of MODEL    8
    1   1H    SER   1          H1        SER   1  -6.617  -0.159  -6.906
    2   2H    SER   1          H2        SER   1  -6.357   1.113  -5.889
    3   3H    SER   1          H3        SER   1  -7.863   0.848  -6.511
    4    HA   SER   1           HA       SER   1  -7.114   1.281  -8.703
    5   1HB   SER   1          HB1       SER   1  -6.644   3.728  -8.440
    6   2HB   SER   1          HB2       SER   1  -8.063   3.152  -7.548
    7    HG   SER   1           HG       SER   1  -6.841   3.146  -5.664
    8    H    CYS   2           H        CYS   2  -4.580   2.816  -6.725
    9    HA   CYS   2           HA       CYS   2  -2.431   1.321  -8.108
   10   1HB   CYS   2          HB1       CYS   2  -2.607   4.337  -7.937
   11   2HB   CYS   2          HB2       CYS   2  -1.214   3.430  -8.522
   12    H    HIS   3           H        HIS   3  -0.929   0.681  -6.719
   13    HA   HIS   3           HA       HIS   3  -0.526   2.192  -4.171
   14   1HB   HIS   3          HB1       HIS   3   0.005   0.145  -3.057
   15   2HB   HIS   3          HB2       HIS   3  -1.605  -0.018  -3.762
   16    HD2  HIS   3           HD2      HIS   3   1.926  -1.620  -3.948
   17    HE1  HIS   3           HE1      HIS   3  -0.522  -3.602  -6.774
   18    HE2  HIS   3           HE2      HIS   3   1.749  -3.642  -5.602
   19    H    PHE   4           H        PHE   4   1.670   2.600  -3.682
   20    HA   PHE   4           HA       PHE   4   3.448   2.491  -5.956
   21   1HB   PHE   4          HB1       PHE   4   3.386   4.319  -4.227
   22   2HB   PHE   4          HB2       PHE   4   4.174   3.208  -3.106
   23    HD1  PHE   4           HD1      PHE   4   4.508   5.117  -6.276
   24    HD2  PHE   4           HD2      PHE   4   6.549   2.562  -3.466
   25    HE1  PHE   4           HE1      PHE   4   6.661   5.597  -7.402
   26    HE2  PHE   4           HE2      PHE   4   8.692   3.001  -4.632
   27    HZ   PHE   4           HZ       PHE   4   8.754   4.521  -6.596
   28    H    GLY   5           H        GLY   5   5.262   1.198  -6.274
   29   1HA   GLY   5          HA1       GLY   5   6.090  -0.853  -4.385
   30   2HA   GLY   5          HA2       GLY   5   5.141  -1.458  -5.765
   31    HA   PRO   6           HA       PRO   6   9.708  -1.474  -6.757
   32   1HB   PRO   6          HB1       PRO   6   8.578  -3.704  -8.469
   33   2HB   PRO   6          HB2       PRO   6  10.165  -3.621  -7.650
   34   1HG   PRO   6          HG1       PRO   6   8.152  -5.015  -6.506
   35   2HG   PRO   6          HG2       PRO   6   9.120  -3.898  -5.496
   36   1HD   PRO   6          HD1       PRO   6   6.401  -3.404  -6.735
   37   2HD   PRO   6          HD2       PRO   6   6.965  -3.057  -5.074
   38    H    LEU   7           H        LEU   7   6.991  -1.813  -9.099
   39    HA   LEU   7           HA       LEU   7   8.555  -0.369 -11.187
   40   1HB   LEU   7          HB1       LEU   7   5.910  -1.856 -11.354
   41   2HB   LEU   7          HB2       LEU   7   6.844  -1.198 -12.705
   42    HG   LEU   7           HG       LEU   7   7.700  -3.479 -10.861
   43   1HD1  LEU   7          HD11      LEU   7   5.883  -4.058 -12.424
   44   2HD1  LEU   7          HD12      LEU   7   6.855  -3.459 -13.786
   45   3HD1  LEU   7          HD13      LEU   7   7.396  -4.874 -12.857
   46   1HD2  LEU   7          HD21      LEU   7   9.099  -2.251 -13.282
   47   2HD2  LEU   7          HD22      LEU   7   9.704  -2.280 -11.608
   48   3HD2  LEU   7          HD23      LEU   7   9.554  -3.787 -12.515
   49    H    GLY   8           H        GLY   8   8.190   1.406  -9.394
   50   1HA   GLY   8          HA1       GLY   8   7.322   3.458  -8.927
   51   2HA   GLY   8          HA2       GLY   8   6.610   3.435 -10.549
   52    H    TRP   9           H        TRP   9   4.472   3.939 -10.353
   53    HA   TRP   9           HA       TRP   9   2.827   2.967  -8.114
   54   1HB   TRP   9          HB1       TRP   9   2.269   4.671 -10.550
   55   2HB   TRP   9          HB2       TRP   9   1.004   4.060  -9.483
   56    HD1  TRP   9           HD1      TRP   9   3.553   6.791  -9.700
   57    HE1  TRP   9           HE1      TRP   9   3.471   8.270  -7.579
   58    HE3  TRP   9           HE3      TRP   9   0.517   3.888  -6.775
   59    HZ2  TRP   9           HZ2      TRP   9   2.291   8.177  -4.978
   60    HZ3  TRP   9           HZ3      TRP   9  -0.066   4.611  -4.479
   61    HH2  TRP   9           HH2      TRP   9   0.824   6.740  -3.567
   62    H    VAL  10           H        VAL  10   2.121   0.969  -8.099
   63    HA   VAL  10           HA       VAL  10   1.888  -0.620 -10.592
   64    HB   VAL  10           HB       VAL  10   1.906  -1.431  -7.654
   65   1HG1  VAL  10          HG11      VAL  10   2.045  -3.102 -10.205
   66   2HG1  VAL  10          HG12      VAL  10   2.208  -3.717  -8.547
   67   3HG1  VAL  10          HG13      VAL  10   0.667  -3.037  -9.086
   68   1HG2  VAL  10          HG21      VAL  10   4.082  -1.569  -9.781
   69   2HG2  VAL  10          HG22      VAL  10   4.108  -0.570  -8.313
   70   3HG2  VAL  10          HG23      VAL  10   4.167  -2.331  -8.180
   71    H    CYS  11           H        CYS  11  -0.066  -0.281 -11.475
   72    HA   CYS  11           HA       CYS  11  -2.466   0.082  -9.775
   73   1HB   CYS  11          HB1       CYS  11  -1.997   0.646 -12.702
   74   2HB   CYS  11          HB2       CYS  11  -3.447   1.075 -11.794
   75    H    LYS  12           H        LYS  12  -4.477  -0.846 -10.443
   76    HA   LYS  12           HA       LYS  12  -4.453  -3.142 -12.217
   77   1HB   LYS  12          HB1       LYS  12  -4.938  -4.841 -10.700
   78   2HB   LYS  12          HB2       LYS  12  -3.545  -4.034 -10.006
   79   1HG   LYS  12          HG1       LYS  12  -6.463  -3.845  -9.129
   80   2HG   LYS  12          HG2       LYS  12  -5.148  -4.654  -8.286
   81   1HD   LYS  12          HD1       LYS  12  -5.413  -1.644  -8.673
   82   2HD   LYS  12          HD2       LYS  12  -5.790  -2.549  -7.213
   83   1HE   LYS  12          HE1       LYS  12  -3.462  -3.242  -6.944
   84   2HE   LYS  12          HE2       LYS  12  -3.000  -2.421  -8.444
   85   1HZ   LYS  12          HZ1       LYS  12  -4.116  -1.103  -6.084
   86   2HZ   LYS  12          HZ2       LYS  12  -2.528  -1.113  -6.536
   87   3HZ   LYS  12          HZ3       LYS  12  -3.654  -0.369  -7.489
   88   1HN   NH2  13          HN1       NH2  13  -8.050  -3.050 -12.128
   89   2HN   NH2  13          HN2       NH2  13  -6.706  -4.160 -12.302
  Start of MODEL    9
    1   1H    SER   1          H1        SER   1  -7.189   4.270  -8.791
    2   2H    SER   1          H2        SER   1  -5.683   3.891  -9.347
    3   3H    SER   1          H3        SER   1  -6.762   2.691  -9.013
    4    HA   SER   1           HA       SER   1  -5.599   4.543  -7.070
    5   1HB   SER   1          HB1       SER   1  -7.451   2.165  -6.628
    6   2HB   SER   1          HB2       SER   1  -6.680   3.140  -5.359
    7    HG   SER   1           HG       SER   1  -8.515   4.047  -7.325
    8    H    CYS   2           H        CYS   2  -3.559   3.942  -8.178
    9    HA   CYS   2           HA       CYS   2  -2.614   1.197  -7.964
   10   1HB   CYS   2          HB1       CYS   2  -1.130   3.766  -8.590
   11   2HB   CYS   2          HB2       CYS   2  -0.517   2.141  -8.826
   12    H    HIS   3           H        HIS   3  -0.812   0.518  -6.701
   13    HA   HIS   3           HA       HIS   3  -0.301   2.070  -4.197
   14   1HB   HIS   3          HB1       HIS   3   0.433   0.019  -3.217
   15   2HB   HIS   3          HB2       HIS   3  -1.176  -0.242  -3.896
   16    HD2  HIS   3           HD2      HIS   3   2.527  -1.390  -4.396
   17    HE1  HIS   3           HE1      HIS   3   0.095  -3.630  -7.034
   18    HE2  HIS   3           HE2      HIS   3   2.458  -3.378  -6.101
   19    H    PHE   4           H        PHE   4   1.923   2.432  -3.633
   20    HA   PHE   4           HA       PHE   4   3.688   2.679  -5.937
   21   1HB   PHE   4          HB1       PHE   4   3.501   4.366  -4.102
   22   2HB   PHE   4          HB2       PHE   4   4.340   3.247  -3.036
   23    HD1  PHE   4           HD1      PHE   4   4.584   5.335  -6.099
   24    HD2  PHE   4           HD2      PHE   4   6.766   2.806  -3.373
   25    HE1  PHE   4           HE1      PHE   4   6.719   6.100  -7.099
   26    HE2  PHE   4           HE2      PHE   4   8.895   3.536  -4.409
   27    HZ   PHE   4           HZ       PHE   4   8.879   5.192  -6.264
   28    H    GLY   5           H        GLY   5   4.130   0.616  -6.647
   29   1HA   GLY   5          HA1       GLY   5   5.283  -1.424  -4.814
   30   2HA   GLY   5          HA2       GLY   5   4.635  -1.660  -6.447
   31    HA   PRO   6           HA       PRO   6   9.319  -1.686  -6.563
   32   1HB   PRO   6          HB1       PRO   6   8.500  -3.653  -8.717
   33   2HB   PRO   6          HB2       PRO   6   9.919  -3.713  -7.631
   34   1HG   PRO   6          HG1       PRO   6   7.739  -5.207  -7.060
   35   2HG   PRO   6          HG2       PRO   6   8.517  -4.264  -5.752
   36   1HD   PRO   6          HD1       PRO   6   6.056  -3.533  -7.363
   37   2HD   PRO   6          HD2       PRO   6   6.315  -3.445  -5.595
   38    H    LEU   7           H        LEU   7   7.000  -1.703  -9.318
   39    HA   LEU   7           HA       LEU   7   8.815   0.034 -10.922
   40   1HB   LEU   7          HB1       LEU   7   6.277  -1.438 -11.705
   41   2HB   LEU   7          HB2       LEU   7   7.392  -0.595 -12.789
   42    HG   LEU   7           HG       LEU   7   8.012  -3.104 -11.161
   43   1HD1  LEU   7          HD11      LEU   7   6.481  -3.470 -13.059
   44   2HD1  LEU   7          HD12      LEU   7   7.638  -2.680 -14.153
   45   3HD1  LEU   7          HD13      LEU   7   8.066  -4.207 -13.353
   46   1HD2  LEU   7          HD21      LEU   7   9.738  -1.541 -13.137
   47   2HD2  LEU   7          HD22      LEU   7  10.073  -1.796 -11.408
   48   3HD2  LEU   7          HD23      LEU   7  10.112  -3.165 -12.522
   49    H    GLY   8           H        GLY   8   7.912   1.397  -8.796
   50   1HA   GLY   8          HA1       GLY   8   6.983   3.411  -8.291
   51   2HA   GLY   8          HA2       GLY   8   6.601   3.623 -10.009
   52    H    TRP   9           H        TRP   9   4.456   4.257  -9.965
   53    HA   TRP   9           HA       TRP   9   2.516   3.137  -8.130
   54   1HB   TRP   9          HB1       TRP   9   2.297   4.977 -10.525
   55   2HB   TRP   9          HB2       TRP   9   0.926   4.476  -9.537
   56    HD1  TRP   9           HD1      TRP   9   3.462   7.122  -9.702
   57    HE1  TRP   9           HE1      TRP   9   3.530   8.510  -7.521
   58    HE3  TRP   9           HE3      TRP   9   0.685   4.064  -6.682
   59    HZ2  TRP   9           HZ2      TRP   9   2.550   8.297  -4.845
   60    HZ3  TRP   9           HZ3      TRP   9   0.283   4.676  -4.316
   61    HH2  TRP   9           HH2      TRP   9   1.211   6.783  -3.388
   62    H    VAL  10           H        VAL  10   2.302   0.984  -8.361
   63    HA   VAL  10           HA       VAL  10   1.648  -0.215 -11.002
   64    HB   VAL  10           HB       VAL  10   2.425  -1.413  -8.311
   65   1HG1  VAL  10          HG11      VAL  10   1.792  -2.781 -10.966
   66   2HG1  VAL  10          HG12      VAL  10   2.513  -3.574  -9.550
   67   3HG1  VAL  10          HG13      VAL  10   0.867  -2.942  -9.458
   68   1HG2  VAL  10          HG21      VAL  10   3.890  -1.291 -10.985
   69   2HG2  VAL  10          HG22      VAL  10   4.324  -0.383  -9.525
   70   3HG2  VAL  10          HG23      VAL  10   4.455  -2.144  -9.532
   71    H    CYS  11           H        CYS  11  -0.439  -0.545 -11.462
   72    HA   CYS  11           HA       CYS  11  -2.497  -0.654  -9.298
   73   1HB   CYS  11          HB1       CYS  11  -2.545   0.077 -12.226
   74   2HB   CYS  11          HB2       CYS  11  -3.969  -0.630 -11.477
   75    H    LYS  12           H        LYS  12  -4.113  -2.277  -9.477
   76    HA   LYS  12           HA       LYS  12  -2.917  -4.916  -9.887
   77   1HB   LYS  12          HB1       LYS  12  -5.512  -3.905  -8.655
   78   2HB   LYS  12          HB2       LYS  12  -5.152  -5.614  -8.884
   79   1HG   LYS  12          HG1       LYS  12  -4.638  -5.004  -6.625
   80   2HG   LYS  12          HG2       LYS  12  -3.194  -5.518  -7.493
   81   1HD   LYS  12          HD1       LYS  12  -2.692  -3.686  -6.005
   82   2HD   LYS  12          HD2       LYS  12  -2.432  -3.174  -7.666
   83   1HE   LYS  12          HE1       LYS  12  -4.697  -2.012  -7.580
   84   2HE   LYS  12          HE2       LYS  12  -4.837  -2.521  -5.890
   85   1HZ   LYS  12          HZ1       LYS  12  -2.696  -0.843  -6.990
   86   2HZ   LYS  12          HZ2       LYS  12  -4.001  -0.289  -6.149
   87   3HZ   LYS  12          HZ3       LYS  12  -2.886  -1.259  -5.409
   88   1HN   NH2  13          HN1       NH2  13  -4.168  -4.885 -13.271
   89   2HN   NH2  13          HN2       NH2  13  -2.782  -4.421 -12.298
  Start of MODEL   10
    1   1H    SER   1          H1        SER   1  -6.675   3.148  -9.426
    2   2H    SER   1          H2        SER   1  -6.971   4.767  -9.308
    3   3H    SER   1          H3        SER   1  -5.477   4.231  -9.756
    4    HA   SER   1           HA       SER   1  -5.456   4.995  -7.513
    5   1HB   SER   1          HB1       SER   1  -7.533   2.813  -7.061
    6   2HB   SER   1          HB2       SER   1  -6.748   3.787  -5.801
    7    HG   SER   1           HG       SER   1  -8.389   4.737  -7.913
    8    H    CYS   2           H        CYS   2  -3.425   4.157  -8.478
    9    HA   CYS   2           HA       CYS   2  -2.739   1.354  -8.071
   10   1HB   CYS   2          HB1       CYS   2  -1.032   3.765  -8.763
   11   2HB   CYS   2          HB2       CYS   2  -0.520   2.092  -8.860
   12    H    HIS   3           H        HIS   3  -1.193   0.547  -6.644
   13    HA   HIS   3           HA       HIS   3  -0.644   2.126  -4.174
   14   1HB   HIS   3          HB1       HIS   3  -0.021  -0.018  -3.202
   15   2HB   HIS   3          HB2       HIS   3  -1.668  -0.079  -3.837
   16    HD2  HIS   3           HD2      HIS   3   1.867  -1.625  -4.520
   17    HE1  HIS   3           HE1      HIS   3  -0.904  -3.494  -7.106
   18    HE2  HIS   3           HE2      HIS   3   1.504  -3.536  -6.270
   19    H    PHE   4           H        PHE   4   1.595   2.374  -3.517
   20    HA   PHE   4           HA       PHE   4   3.427   2.497  -5.758
   21   1HB   PHE   4          HB1       PHE   4   3.402   4.096  -3.808
   22   2HB   PHE   4          HB2       PHE   4   4.134   2.821  -2.833
   23    HD1  PHE   4           HD1      PHE   4   4.577   5.125  -5.706
   24    HD2  PHE   4           HD2      PHE   4   6.475   2.088  -3.306
   25    HE1  PHE   4           HE1      PHE   4   6.742   5.603  -6.812
   26    HE2  PHE   4           HE2      PHE   4   8.629   2.542  -4.444
   27    HZ   PHE   4           HZ       PHE   4   8.769   4.300  -6.195
   28    H    GLY   5           H        GLY   5   5.067   1.085  -6.287
   29   1HA   GLY   5          HA1       GLY   5   5.771  -1.210  -4.612
   30   2HA   GLY   5          HA2       GLY   5   4.829  -1.574  -6.078
   31    HA   PRO   6           HA       PRO   6   9.432  -1.760  -6.892
   32   1HB   PRO   6          HB1       PRO   6   8.249  -3.698  -8.901
   33   2HB   PRO   6          HB2       PRO   6   9.809  -3.805  -8.034
   34   1HG   PRO   6          HG1       PRO   6   7.685  -5.199  -7.116
   35   2HG   PRO   6          HG2       PRO   6   8.676  -4.262  -5.956
   36   1HD   PRO   6          HD1       PRO   6   6.030  -3.482  -7.201
   37   2HD   PRO   6          HD2       PRO   6   6.561  -3.347  -5.499
   38    H    LEU   7           H        LEU   7   6.861  -1.701  -9.426
   39    HA   LEU   7           HA       LEU   7   8.602  -0.035 -11.183
   40   1HB   LEU   7          HB1       LEU   7   5.967  -1.430 -11.760
   41   2HB   LEU   7          HB2       LEU   7   7.014  -0.613 -12.927
   42    HG   LEU   7           HG       LEU   7   7.698  -3.138 -11.348
   43   1HD1  LEU   7          HD11      LEU   7   6.007  -3.468 -13.113
   44   2HD1  LEU   7          HD12      LEU   7   7.089  -2.709 -14.301
   45   3HD1  LEU   7          HD13      LEU   7   7.543  -4.246 -13.533
   46   1HD2  LEU   7          HD21      LEU   7   9.296  -1.624 -13.464
   47   2HD2  LEU   7          HD22      LEU   7   9.766  -1.890 -11.768
   48   3HD2  LEU   7          HD23      LEU   7   9.675  -3.258 -12.881
   49    H    GLY   8           H        GLY   8   8.143   1.502  -9.223
   50   1HA   GLY   8          HA1       GLY   8   7.329   3.534  -8.610
   51   2HA   GLY   8          HA2       GLY   8   6.691   3.695 -10.253
   52    H    TRP   9           H        TRP   9   4.520   3.958 -10.330
   53    HA   TRP   9           HA       TRP   9   2.792   3.128  -8.075
   54   1HB   TRP   9          HB1       TRP   9   2.400   4.897 -10.500
   55   2HB   TRP   9          HB2       TRP   9   1.080   4.381  -9.453
   56    HD1  TRP   9           HD1      TRP   9   3.654   7.024  -9.696
   57    HE1  TRP   9           HE1      TRP   9   3.737   8.441  -7.533
   58    HE3  TRP   9           HE3      TRP   9   0.815   4.055  -6.648
   59    HZ2  TRP   9           HZ2      TRP   9   2.745   8.278  -4.856
   60    HZ3  TRP   9           HZ3      TRP   9   0.406   4.707  -4.294
   61    HH2  TRP   9           HH2      TRP   9   1.373   6.807  -3.386
   62    H    VAL  10           H        VAL  10   2.315   1.046  -8.129
   63    HA   VAL  10           HA       VAL  10   1.849  -0.379 -10.687
   64    HB   VAL  10           HB       VAL  10   2.328  -1.361  -7.840
   65   1HG1  VAL  10          HG11      VAL  10   2.147  -2.882 -10.481
   66   2HG1  VAL  10          HG12      VAL  10   2.640  -3.576  -8.923
   67   3HG1  VAL  10          HG13      VAL  10   0.989  -2.985  -9.138
   68   1HG2  VAL  10          HG21      VAL  10   4.156  -1.247 -10.271
   69   2HG2  VAL  10          HG22      VAL  10   4.358  -0.333  -8.762
   70   3HG2  VAL  10          HG23      VAL  10   4.531  -2.092  -8.756
   71    H    CYS  11           H        CYS  11  -0.223  -0.679 -11.296
   72    HA   CYS  11           HA       CYS  11  -2.427  -0.696  -9.269
   73   1HB   CYS  11          HB1       CYS  11  -2.280  -0.100 -12.228
   74   2HB   CYS  11          HB2       CYS  11  -3.748  -0.779 -11.542
   75    H    LYS  12           H        LYS  12  -4.071  -2.357  -9.583
   76    HA   LYS  12           HA       LYS  12  -3.312  -4.832 -10.943
   77   1HB   LYS  12          HB1       LYS  12  -3.503  -6.191  -8.894
   78   2HB   LYS  12          HB2       LYS  12  -2.125  -5.087  -8.825
   79   1HG   LYS  12          HG1       LYS  12  -3.400  -3.537  -7.382
   80   2HG   LYS  12          HG2       LYS  12  -4.825  -4.590  -7.479
   81   1HD   LYS  12          HD1       LYS  12  -3.605  -6.414  -6.385
   82   2HD   LYS  12          HD2       LYS  12  -2.124  -5.438  -6.348
   83   1HE   LYS  12          HE1       LYS  12  -3.277  -3.753  -4.920
   84   2HE   LYS  12          HE2       LYS  12  -4.744  -4.753  -4.939
   85   1HZ   LYS  12          HZ1       LYS  12  -2.133  -5.554  -3.867
   86   2HZ   LYS  12          HZ2       LYS  12  -3.449  -5.106  -2.981
   87   3HZ   LYS  12          HZ3       LYS  12  -3.493  -6.486  -3.882
   88   1HN   NH2  13          HN1       NH2  13  -6.749  -5.821 -10.671
   89   2HN   NH2  13          HN2       NH2  13  -5.119  -6.451 -10.787
  Start of MODEL   11
    1   1H    SER   1          H1        SER   1  -7.189  -0.136  -4.556
    2   2H    SER   1          H2        SER   1  -8.582  -0.117  -5.442
    3   3H    SER   1          H3        SER   1  -7.343  -1.124  -5.864
    4    HA   SER   1           HA       SER   1  -7.456   0.712  -7.334
    5   1HB   SER   1          HB1       SER   1  -8.435   2.250  -5.568
    6   2HB   SER   1          HB2       SER   1  -6.797   2.437  -4.913
    7    HG   SER   1           HG       SER   1  -7.717   3.086  -7.526
    8    H    CYS   2           H        CYS   2  -5.337   2.466  -7.396
    9    HA   CYS   2           HA       CYS   2  -3.121   0.582  -7.639
   10   1HB   CYS   2          HB1       CYS   2  -3.212   3.558  -8.198
   11   2HB   CYS   2          HB2       CYS   2  -1.972   2.421  -8.748
   12    H    HIS   3           H        HIS   3  -0.896   1.341  -6.992
   13    HA   HIS   3           HA       HIS   3  -0.674   2.628  -4.355
   14   1HB   HIS   3          HB1       HIS   3   0.194   0.506  -3.363
   15   2HB   HIS   3          HB2       HIS   3  -1.515   0.408  -3.785
   16    HD2  HIS   3           HD2      HIS   3   1.891  -1.200  -4.800
   17    HE1  HIS   3           HE1      HIS   3  -1.147  -3.046  -7.080
   18    HE2  HIS   3           HE2      HIS   3   1.324  -3.134  -6.462
   19    H    PHE   4           H        PHE   4   1.717   2.308  -3.605
   20    HA   PHE   4           HA       PHE   4   3.510   2.612  -5.956
   21   1HB   PHE   4          HB1       PHE   4   3.575   4.290  -4.112
   22   2HB   PHE   4          HB2       PHE   4   4.136   3.021  -3.022
   23    HD1  PHE   4           HD1      PHE   4   4.975   5.128  -5.955
   24    HD2  PHE   4           HD2      PHE   4   6.412   2.039  -3.310
   25    HE1  PHE   4           HE1      PHE   4   7.246   5.355  -6.918
   26    HE2  PHE   4           HE2      PHE   4   8.669   2.238  -4.313
   27    HZ   PHE   4           HZ       PHE   4   9.091   3.892  -6.119
   28    H    GLY   5           H        GLY   5   5.026   1.073  -6.465
   29   1HA   GLY   5          HA1       GLY   5   5.632  -1.156  -4.653
   30   2HA   GLY   5          HA2       GLY   5   4.716  -1.553  -6.125
   31    HA   PRO   6           HA       PRO   6   9.326  -1.961  -6.770
   32   1HB   PRO   6          HB1       PRO   6   8.112  -3.953  -8.707
   33   2HB   PRO   6          HB2       PRO   6   9.655  -4.074  -7.809
   34   1HG   PRO   6          HG1       PRO   6   7.466  -5.331  -6.856
   35   2HG   PRO   6          HG2       PRO   6   8.456  -4.354  -5.728
   36   1HD   PRO   6          HD1       PRO   6   5.877  -3.566  -7.106
   37   2HD   PRO   6          HD2       PRO   6   6.357  -3.347  -5.397
   38    H    LEU   7           H        LEU   7   6.848  -1.848  -9.399
   39    HA   LEU   7           HA       LEU   7   8.740  -0.320 -11.136
   40   1HB   LEU   7          HB1       LEU   7   6.131  -1.788 -11.670
   41   2HB   LEU   7          HB2       LEU   7   6.888  -0.705 -12.834
   42    HG   LEU   7           HG       LEU   7   7.334  -2.986 -13.372
   43   1HD1  LEU   7          HD11      LEU   7   9.007  -1.231 -13.941
   44   2HD1  LEU   7          HD12      LEU   7   9.928  -1.664 -12.481
   45   3HD1  LEU   7          HD13      LEU   7   9.704  -2.853 -13.773
   46   1HD2  LEU   7          HD21      LEU   7   7.339  -3.935 -11.052
   47   2HD2  LEU   7          HD22      LEU   7   8.659  -4.499 -12.093
   48   3HD2  LEU   7          HD23      LEU   7   8.990  -3.288 -10.849
   49    H    GLY   8           H        GLY   8   8.401   1.293  -9.286
   50   1HA   GLY   8          HA1       GLY   8   7.722   3.392  -8.730
   51   2HA   GLY   8          HA2       GLY   8   7.105   3.534 -10.383
   52    H    TRP   9           H        TRP   9   4.970   4.056 -10.431
   53    HA   TRP   9           HA       TRP   9   3.191   3.393  -8.178
   54   1HB   TRP   9          HB1       TRP   9   3.171   5.626  -9.227
   55   2HB   TRP   9          HB2       TRP   9   2.626   4.907 -10.742
   56    HD1  TRP   9           HD1      TRP   9   0.072   4.744 -11.001
   57    HE1  TRP   9           HE1      TRP   9  -1.988   5.018  -9.466
   58    HE3  TRP   9           HE3      TRP   9   2.447   5.175  -6.483
   59    HZ2  TRP   9           HZ2      TRP   9  -2.524   5.330  -6.670
   60    HZ3  TRP   9           HZ3      TRP   9   1.131   5.433  -4.403
   61    HH2  TRP   9           HH2      TRP   9  -1.350   5.498  -4.484
   62    H    VAL  10           H        VAL  10   2.512   1.332  -8.164
   63    HA   VAL  10           HA       VAL  10   2.091  -0.163 -10.698
   64    HB   VAL  10           HB       VAL  10   2.432  -1.068  -7.812
   65   1HG1  VAL  10          HG11      VAL  10   2.179  -2.685 -10.390
   66   2HG1  VAL  10          HG12      VAL  10   2.606  -3.345  -8.798
   67   3HG1  VAL  10          HG13      VAL  10   1.001  -2.656  -9.061
   68   1HG2  VAL  10          HG21      VAL  10   4.289  -1.195 -10.224
   69   2HG2  VAL  10          HG22      VAL  10   4.537  -0.223  -8.759
   70   3HG2  VAL  10          HG23      VAL  10   4.590  -1.987  -8.666
   71    H    CYS  11           H        CYS  11   0.060  -0.553 -11.364
   72    HA   CYS  11           HA       CYS  11  -2.235  -0.065  -9.531
   73   1HB   CYS  11          HB1       CYS  11  -1.921  -0.085 -12.535
   74   2HB   CYS  11          HB2       CYS  11  -3.501  -0.175 -11.759
   75    H    LYS  12           H        LYS  12  -4.088  -1.498  -9.757
   76    HA   LYS  12           HA       LYS  12  -3.639  -4.210 -10.715
   77   1HB   LYS  12          HB1       LYS  12  -4.165  -5.266  -8.535
   78   2HB   LYS  12          HB2       LYS  12  -2.632  -4.425  -8.576
   79   1HG   LYS  12          HG1       LYS  12  -3.530  -3.963  -6.470
   80   2HG   LYS  12          HG2       LYS  12  -3.652  -2.473  -7.384
   81   1HD   LYS  12          HD1       LYS  12  -5.605  -2.865  -5.969
   82   2HD   LYS  12          HD2       LYS  12  -6.073  -2.785  -7.658
   83   1HE   LYS  12          HE1       LYS  12  -7.276  -4.552  -6.450
   84   2HE   LYS  12          HE2       LYS  12  -6.273  -5.274  -7.709
   85   1HZ   LYS  12          HZ1       LYS  12  -5.584  -5.089  -4.860
   86   2HZ   LYS  12          HZ2       LYS  12  -6.115  -6.441  -5.641
   87   3HZ   LYS  12          HZ3       LYS  12  -4.653  -5.788  -6.029
   88   1HN   NH2  13          HN1       NH2  13  -7.199  -4.658 -10.596
   89   2HN   NH2  13          HN2       NH2  13  -5.699  -5.539 -10.391
  Start of MODEL   12
    1   1H    SER   1          H1        SER   1  -7.337  -1.121  -6.845
    2   2H    SER   1          H2        SER   1  -5.879  -1.771  -7.272
    3   3H    SER   1          H3        SER   1  -6.056  -1.042  -5.806
    4    HA   SER   1           HA       SER   1  -6.255   0.264  -8.407
    5   1HB   SER   1          HB1       SER   1  -7.687   1.212  -6.538
    6   2HB   SER   1          HB2       SER   1  -6.188   1.579  -5.662
    7    HG   SER   1           HG       SER   1  -6.994   2.535  -8.218
    8    H    CYS   2           H        CYS   2  -4.560   2.364  -7.931
    9    HA   CYS   2           HA       CYS   2  -1.977   1.019  -8.147
   10   1HB   CYS   2          HB1       CYS   2  -2.917   3.789  -8.754
   11   2HB   CYS   2          HB2       CYS   2  -1.201   3.393  -8.600
   12    H    HIS   3           H        HIS   3  -0.208   1.269  -6.995
   13    HA   HIS   3           HA       HIS   3  -0.164   2.798  -4.481
   14   1HB   HIS   3          HB1       HIS   3   0.369   0.775  -3.188
   15   2HB   HIS   3          HB2       HIS   3  -1.252   0.668  -3.879
   16    HD2  HIS   3           HD2      HIS   3   2.259  -1.029  -4.216
   17    HE1  HIS   3           HE1      HIS   3  -0.454  -3.112  -6.703
   18    HE2  HIS   3           HE2      HIS   3   1.920  -3.115  -5.764
   19    H    PHE   4           H        PHE   4   2.067   2.588  -3.512
   20    HA   PHE   4           HA       PHE   4   4.099   2.841  -5.567
   21   1HB   PHE   4          HB1       PHE   4   4.311   2.872  -2.540
   22   2HB   PHE   4          HB2       PHE   4   5.583   3.321  -3.675
   23    HD1  PHE   4           HD1      PHE   4   4.980   5.198  -5.433
   24    HD2  PHE   4           HD2      PHE   4   2.852   4.571  -1.732
   25    HE1  PHE   4           HE1      PHE   4   4.047   7.491  -5.575
   26    HE2  PHE   4           HE2      PHE   4   1.949   6.874  -1.867
   27    HZ   PHE   4           HZ       PHE   4   2.531   8.332  -3.794
   28    H    GLY   5           H        GLY   5   3.976   0.767  -6.518
   29   1HA   GLY   5          HA1       GLY   5   4.845  -1.636  -5.027
   30   2HA   GLY   5          HA2       GLY   5   4.249  -1.504  -6.689
   31    HA   PRO   6           HA       PRO   6   8.896  -1.980  -6.590
   32   1HB   PRO   6          HB1       PRO   6   9.160  -3.820  -8.623
   33   2HB   PRO   6          HB2       PRO   6   8.773  -4.238  -6.930
   34   1HG   PRO   6          HG1       PRO   6   6.840  -3.900  -9.231
   35   2HG   PRO   6          HG2       PRO   6   6.915  -5.233  -8.045
   36   1HD   PRO   6          HD1       PRO   6   5.179  -3.177  -7.771
   37   2HD   PRO   6          HD2       PRO   6   5.984  -3.869  -6.331
   38    H    LEU   7           H        LEU   7   6.828  -1.712  -9.524
   39    HA   LEU   7           HA       LEU   7   8.885   0.000 -10.847
   40   1HB   LEU   7          HB1       LEU   7   6.352  -1.251 -11.958
   41   2HB   LEU   7          HB2       LEU   7   7.604  -0.398 -12.870
   42    HG   LEU   7           HG       LEU   7   7.951  -3.051 -11.395
   43   1HD1  LEU   7          HD11      LEU   7   6.562  -3.196 -13.427
   44   2HD1  LEU   7          HD12      LEU   7   7.841  -2.397 -14.367
   45   3HD1  LEU   7          HD13      LEU   7   8.126  -3.999 -13.652
   46   1HD2  LEU   7          HD21      LEU   7   9.909  -1.455 -13.110
   47   2HD2  LEU   7          HD22      LEU   7  10.089  -1.848 -11.384
   48   3HD2  LEU   7          HD23      LEU   7  10.148  -3.136 -12.590
   49    H    GLY   8           H        GLY   8   7.810   1.209  -8.662
   50   1HA   GLY   8          HA1       GLY   8   7.069   3.299  -8.139
   51   2HA   GLY   8          HA2       GLY   8   6.768   3.606  -9.856
   52    H    TRP   9           H        TRP   9   4.666   4.194 -10.114
   53    HA   TRP   9           HA       TRP   9   2.665   3.484  -8.134
   54   1HB   TRP   9          HB1       TRP   9   3.040   5.744  -9.113
   55   2HB   TRP   9          HB2       TRP   9   2.425   5.159 -10.653
   56    HD1  TRP   9           HD1      TRP   9   0.001   5.844 -10.977
   57    HE1  TRP   9           HE1      TRP   9  -2.028   6.424  -9.485
   58    HE3  TRP   9           HE3      TRP   9   2.048   4.908  -6.369
   59    HZ2  TRP   9           HZ2      TRP   9  -2.670   6.459  -6.705
   60    HZ3  TRP   9           HZ3      TRP   9   0.691   5.209  -4.327
   61    HH2  TRP   9           HH2      TRP   9  -1.662   5.980  -4.477
   62    H    VAL  10           H        VAL  10   2.561   1.199  -8.481
   63    HA   VAL  10           HA       VAL  10   1.659   0.186 -11.121
   64    HB   VAL  10           HB       VAL  10   2.686  -1.218  -8.617
   65   1HG1  VAL  10          HG11      VAL  10   2.026  -2.324 -11.383
   66   2HG1  VAL  10          HG12      VAL  10   2.878  -3.211 -10.102
   67   3HG1  VAL  10          HG13      VAL  10   1.199  -2.725  -9.861
   68   1HG2  VAL  10          HG21      VAL  10   4.011  -0.654 -11.305
   69   2HG2  VAL  10          HG22      VAL  10   4.458   0.057  -9.741
   70   3HG2  VAL  10          HG23      VAL  10   4.690  -1.671 -10.014
   71    H    CYS  11           H        CYS  11  -0.342  -0.632 -11.438
   72    HA   CYS  11           HA       CYS  11  -2.339  -0.684  -9.226
   73   1HB   CYS  11          HB1       CYS  11  -2.473  -0.403 -12.223
   74   2HB   CYS  11          HB2       CYS  11  -3.840  -1.050 -11.329
   75    H    LYS  12           H        LYS  12  -3.163  -2.459  -8.480
   76    HA   LYS  12           HA       LYS  12  -3.205  -4.936 -10.073
   77   1HB   LYS  12          HB1       LYS  12  -2.228  -4.744  -7.186
   78   2HB   LYS  12          HB2       LYS  12  -2.576  -6.254  -8.028
   79   1HG   LYS  12          HG1       LYS  12  -0.413  -4.286  -8.893
   80   2HG   LYS  12          HG2       LYS  12  -0.161  -5.690  -7.855
   81   1HD   LYS  12          HD1       LYS  12  -0.888  -7.216  -9.633
   82   2HD   LYS  12          HD2       LYS  12  -1.269  -5.852 -10.695
   83   1HE   LYS  12          HE1       LYS  12   0.868  -6.810 -11.324
   84   2HE   LYS  12          HE2       LYS  12   1.087  -5.158 -10.728
   85   1HZ   LYS  12          HZ1       LYS  12   1.552  -7.611  -9.181
   86   2HZ   LYS  12          HZ2       LYS  12   2.719  -6.670  -9.866
   87   3HZ   LYS  12          HZ3       LYS  12   1.794  -6.071  -8.642
   88   1HN   NH2  13          HN1       NH2  13  -6.213  -5.774  -8.323
   89   2HN   NH2  13          HN2       NH2  13  -4.822  -6.471  -9.127
  Start of MODEL   13
    1   1H    SER   1          H1        SER   1  -6.477   2.086  -9.317
    2   2H    SER   1          H2        SER   1  -6.612   0.523  -9.828
    3   3H    SER   1          H3        SER   1  -7.895   1.267  -9.107
    4    HA   SER   1           HA       SER   1  -6.750   1.419  -7.050
    5   1HB   SER   1          HB1       SER   1  -6.706  -0.997  -6.498
    6   2HB   SER   1          HB2       SER   1  -8.145  -0.537  -7.424
    7    HG   SER   1           HG       SER   1  -5.788  -1.706  -8.481
    8    H    CYS   2           H        CYS   2  -4.798   2.673  -7.792
    9    HA   CYS   2           HA       CYS   2  -2.355   1.023  -8.043
   10   1HB   CYS   2          HB1       CYS   2  -3.015   3.852  -8.772
   11   2HB   CYS   2          HB2       CYS   2  -1.353   3.358  -8.443
   12    H    HIS   3           H        HIS   3  -0.496   1.503  -6.991
   13    HA   HIS   3           HA       HIS   3  -0.505   2.711  -4.327
   14   1HB   HIS   3          HB1       HIS   3   0.014   0.494  -3.289
   15   2HB   HIS   3          HB2       HIS   3  -1.636   0.577  -3.908
   16    HD2  HIS   3           HD2      HIS   3   1.783  -1.174  -4.789
   17    HE1  HIS   3           HE1      HIS   3  -1.265  -2.940  -7.118
   18    HE2  HIS   3           HE2      HIS   3   1.198  -3.074  -6.487
   19    H    PHE   4           H        PHE   4   1.764   2.462  -3.406
   20    HA   PHE   4           HA       PHE   4   3.736   2.668  -5.533
   21   1HB   PHE   4          HB1       PHE   4   3.929   4.041  -3.523
   22   2HB   PHE   4          HB2       PHE   4   4.116   2.594  -2.528
   23    HD1  PHE   4           HD1      PHE   4   5.630   4.488  -5.392
   24    HD2  PHE   4           HD2      PHE   4   6.263   1.483  -2.363
   25    HE1  PHE   4           HE1      PHE   4   8.000   4.280  -6.087
   26    HE2  PHE   4           HE2      PHE   4   8.629   1.279  -3.067
   27    HZ   PHE   4           HZ       PHE   4   9.499   2.665  -4.938
   28    H    GLY   5           H        GLY   5   4.810   1.033  -6.423
   29   1HA   GLY   5          HA1       GLY   5   5.236  -1.546  -4.992
   30   2HA   GLY   5          HA2       GLY   5   4.506  -1.485  -6.610
   31    HA   PRO   6           HA       PRO   6   9.198  -1.704  -6.732
   32   1HB   PRO   6          HB1       PRO   6   9.467  -3.785  -8.520
   33   2HB   PRO   6          HB2       PRO   6   9.243  -3.982  -6.761
   34   1HG   PRO   6          HG1       PRO   6   7.107  -4.099  -8.901
   35   2HG   PRO   6          HG2       PRO   6   7.393  -5.257  -7.571
   36   1HD   PRO   6          HD1       PRO   6   5.517  -3.326  -7.380
   37   2HD   PRO   6          HD2       PRO   6   6.525  -3.727  -5.959
   38    H    LEU   7           H        LEU   7   6.845  -1.757  -9.446
   39    HA   LEU   7           HA       LEU   7   8.731  -0.146 -11.123
   40   1HB   LEU   7          HB1       LEU   7   6.134  -1.590 -11.788
   41   2HB   LEU   7          HB2       LEU   7   7.008  -0.525 -12.886
   42    HG   LEU   7           HG       LEU   7   7.462  -2.731 -13.505
   43   1HD1  LEU   7          HD11      LEU   7   9.351  -1.101 -13.628
   44   2HD1  LEU   7          HD12      LEU   7   9.978  -1.758 -12.097
   45   3HD1  LEU   7          HD13      LEU   7   9.864  -2.795 -13.527
   46   1HD2  LEU   7          HD21      LEU   7   6.995  -3.856 -11.328
   47   2HD2  LEU   7          HD22      LEU   7   8.430  -4.457 -12.178
   48   3HD2  LEU   7          HD23      LEU   7   8.628  -3.390 -10.785
   49    H    GLY   8           H        GLY   8   8.243   1.326  -9.122
   50   1HA   GLY   8          HA1       GLY   8   7.537   3.399  -8.531
   51   2HA   GLY   8          HA2       GLY   8   6.963   3.601 -10.192
   52    H    TRP   9           H        TRP   9   4.802   3.882 -10.416
   53    HA   TRP   9           HA       TRP   9   3.013   3.395  -8.101
   54   1HB   TRP   9          HB1       TRP   9   3.289   5.658  -9.089
   55   2HB   TRP   9          HB2       TRP   9   2.622   5.067 -10.605
   56    HD1  TRP   9           HD1      TRP   9   0.178   5.701 -10.838
   57    HE1  TRP   9           HE1      TRP   9  -1.807   6.233  -9.272
   58    HE3  TRP   9           HE3      TRP   9   2.420   4.833  -6.306
   59    HZ2  TRP   9           HZ2      TRP   9  -2.356   6.225  -6.472
   60    HZ3  TRP   9           HZ3      TRP   9   1.133   5.103  -4.215
   61    HH2  TRP   9           HH2      TRP   9  -1.258   5.770  -4.283
   62    H    VAL  10           H        VAL  10   2.499   1.249  -8.246
   63    HA   VAL  10           HA       VAL  10   1.844   0.026 -10.867
   64    HB   VAL  10           HB       VAL  10   2.458  -1.153  -8.120
   65   1HG1  VAL  10          HG11      VAL  10   2.070  -2.507 -10.826
   66   2HG1  VAL  10          HG12      VAL  10   2.712  -3.298  -9.371
   67   3HG1  VAL  10          HG13      VAL  10   1.050  -2.709  -9.383
   68   1HG2  VAL  10          HG21      VAL  10   4.140  -0.902 -10.644
   69   2HG2  VAL  10          HG22      VAL  10   4.445  -0.097  -9.088
   70   3HG2  VAL  10          HG23      VAL  10   4.595  -1.853  -9.216
   71    H    CYS  11           H        CYS  11  -0.177  -0.760 -11.321
   72    HA   CYS  11           HA       CYS  11  -2.330  -0.582  -9.267
   73   1HB   CYS  11          HB1       CYS  11  -2.305  -0.356 -12.253
   74   2HB   CYS  11          HB2       CYS  11  -3.714  -1.044 -11.459
   75    H    LYS  12           H        LYS  12  -3.654  -2.226  -8.822
   76    HA   LYS  12           HA       LYS  12  -2.412  -4.836  -8.955
   77   1HB   LYS  12          HB1       LYS  12  -3.529  -3.893  -6.933
   78   2HB   LYS  12          HB2       LYS  12  -5.073  -3.930  -7.779
   79   1HG   LYS  12          HG1       LYS  12  -4.914  -5.806  -6.286
   80   2HG   LYS  12          HG2       LYS  12  -4.899  -6.428  -7.939
   81   1HD   LYS  12          HD1       LYS  12  -2.460  -6.765  -7.823
   82   2HD   LYS  12          HD2       LYS  12  -2.408  -5.985  -6.225
   83   1HE   LYS  12          HE1       LYS  12  -3.837  -7.791  -5.306
   84   2HE   LYS  12          HE2       LYS  12  -3.909  -8.553  -6.908
   85   1HZ   LYS  12          HZ1       LYS  12  -1.477  -8.121  -5.325
   86   2HZ   LYS  12          HZ2       LYS  12  -2.266  -9.556  -5.519
   87   3HZ   LYS  12          HZ3       LYS  12  -1.544  -8.831  -6.812
   88   1HN   NH2  13          HN1       NH2  13  -3.948  -5.559 -12.125
   89   2HN   NH2  13          HN2       NH2  13  -2.490  -4.941 -11.366
  Start of MODEL   14
    1   1H    SER   1          H1        SER   1  -7.309  -1.102  -8.865
    2   2H    SER   1          H2        SER   1  -8.562  -0.363  -8.085
    3   3H    SER   1          H3        SER   1  -7.567   0.514  -9.069
    4    HA   SER   1           HA       SER   1  -7.078   0.938  -6.796
    5   1HB   SER   1          HB1       SER   1  -6.107  -0.910  -5.418
    6   2HB   SER   1          HB2       SER   1  -7.812  -1.161  -5.837
    7    HG   SER   1           HG       SER   1  -5.570  -2.327  -7.136
    8    H    CYS   2           H        CYS   2  -5.042   1.767  -6.405
    9    HA   CYS   2           HA       CYS   2  -2.717   0.566  -7.721
   10   1HB   CYS   2          HB1       CYS   2  -3.289   3.537  -7.941
   11   2HB   CYS   2          HB2       CYS   2  -1.933   2.650  -8.647
   12    H    HIS   3           H        HIS   3  -0.729   1.248  -6.877
   13    HA   HIS   3           HA       HIS   3  -0.576   2.651  -4.312
   14   1HB   HIS   3          HB1       HIS   3   0.260   0.571  -3.173
   15   2HB   HIS   3          HB2       HIS   3  -1.458   0.501  -3.575
   16    HD2  HIS   3           HD2      HIS   3   1.912  -1.209  -4.624
   17    HE1  HIS   3           HE1      HIS   3  -1.255  -3.167  -6.624
   18    HE2  HIS   3           HE2      HIS   3   1.251  -3.232  -6.145
   19    H    PHE   4           H        PHE   4   1.760   2.712  -3.613
   20    HA   PHE   4           HA       PHE   4   3.556   2.707  -5.929
   21   1HB   PHE   4          HB1       PHE   4   3.669   4.438  -4.136
   22   2HB   PHE   4          HB2       PHE   4   4.224   3.195  -3.014
   23    HD1  PHE   4           HD1      PHE   4   5.048   5.151  -6.063
   24    HD2  PHE   4           HD2      PHE   4   6.496   2.220  -3.250
   25    HE1  PHE   4           HE1      PHE   4   7.311   5.307  -7.060
   26    HE2  PHE   4           HE2      PHE   4   8.745   2.346  -4.284
   27    HZ   PHE   4           HZ       PHE   4   9.156   3.884  -6.192
   28    H    GLY   5           H        GLY   5   5.126   1.177  -6.370
   29   1HA   GLY   5          HA1       GLY   5   5.733  -1.003  -4.517
   30   2HA   GLY   5          HA2       GLY   5   4.768  -1.454  -5.942
   31    HA   PRO   6           HA       PRO   6   9.349  -1.929  -6.746
   32   1HB   PRO   6          HB1       PRO   6   8.058  -3.945  -8.606
   33   2HB   PRO   6          HB2       PRO   6   9.614  -4.070  -7.733
   34   1HG   PRO   6          HG1       PRO   6   7.424  -5.278  -6.713
   35   2HG   PRO   6          HG2       PRO   6   8.467  -4.309  -5.627
   36   1HD   PRO   6          HD1       PRO   6   5.860  -3.489  -6.929
   37   2HD   PRO   6          HD2       PRO   6   6.403  -3.253  -5.242
   38    H    LEU   7           H        LEU   7   6.755  -1.869  -9.253
   39    HA   LEU   7           HA       LEU   7   8.593  -0.501 -11.161
   40   1HB   LEU   7          HB1       LEU   7   5.831  -1.691 -11.587
   41   2HB   LEU   7          HB2       LEU   7   6.926  -1.070 -12.829
   42    HG   LEU   7           HG       LEU   7   7.407  -3.514 -11.059
   43   1HD1  LEU   7          HD11      LEU   7   5.655  -3.826 -12.765
   44   2HD1  LEU   7          HD12      LEU   7   6.775  -3.269 -14.027
   45   3HD1  LEU   7          HD13      LEU   7   7.104  -4.775 -13.143
   46   1HD2  LEU   7          HD21      LEU   7   9.091  -2.331 -13.314
   47   2HD2  LEU   7          HD22      LEU   7   9.571  -2.499 -11.609
   48   3HD2  LEU   7          HD23      LEU   7   9.332  -3.939 -12.602
   49    H    GLY   8           H        GLY   8   8.316   1.217  -9.323
   50   1HA   GLY   8          HA1       GLY   8   7.682   3.345  -8.835
   51   2HA   GLY   8          HA2       GLY   8   7.039   3.450 -10.481
   52    H    TRP   9           H        TRP   9   4.908   3.973 -10.515
   53    HA   TRP   9           HA       TRP   9   3.153   3.377  -8.222
   54   1HB   TRP   9          HB1       TRP   9   3.149   5.595  -9.317
   55   2HB   TRP   9          HB2       TRP   9   2.575   4.850 -10.809
   56    HD1  TRP   9           HD1      TRP   9   0.027   4.868 -11.052
   57    HE1  TRP   9           HE1      TRP   9  -2.013   5.195  -9.500
   58    HE3  TRP   9           HE3      TRP   9   2.433   5.051  -6.532
   59    HZ2  TRP   9           HZ2      TRP   9  -2.523   5.473  -6.698
   60    HZ3  TRP   9           HZ3      TRP   9   1.137   5.333  -4.444
   61    HH2  TRP   9           HH2      TRP   9  -1.337   5.524  -4.512
   62    H    VAL  10           H        VAL  10   2.389   1.360  -8.155
   63    HA   VAL  10           HA       VAL  10   2.044  -0.237 -10.625
   64    HB   VAL  10           HB       VAL  10   2.206  -0.983  -7.677
   65   1HG1  VAL  10          HG11      VAL  10   2.041  -2.739 -10.167
   66   2HG1  VAL  10          HG12      VAL  10   2.393  -3.316  -8.525
   67   3HG1  VAL  10          HG13      VAL  10   0.812  -2.616  -8.888
   68   1HG2  VAL  10          HG21      VAL  10   4.179  -1.279  -9.979
   69   2HG2  VAL  10          HG22      VAL  10   4.372  -0.226  -8.563
   70   3HG2  VAL  10          HG23      VAL  10   4.388  -1.983  -8.365
   71    H    CYS  11           H        CYS  11   0.058  -0.250 -11.466
   72    HA   CYS  11           HA       CYS  11  -2.360   0.056  -9.754
   73   1HB   CYS  11          HB1       CYS  11  -1.837   0.421 -12.698
   74   2HB   CYS  11          HB2       CYS  11  -3.463   0.267 -12.026
   75    H    LYS  12           H        LYS  12  -2.322  -1.972  -8.822
   76    HA   LYS  12           HA       LYS  12  -3.480  -4.085 -10.524
   77   1HB   LYS  12          HB1       LYS  12  -1.179  -4.532  -8.567
   78   2HB   LYS  12          HB2       LYS  12  -2.143  -5.807  -9.330
   79   1HG   LYS  12          HG1       LYS  12  -1.390  -5.041 -11.569
   80   2HG   LYS  12          HG2       LYS  12  -0.385  -3.794 -10.802
   81   1HD   LYS  12          HD1       LYS  12   0.879  -5.545  -9.587
   82   2HD   LYS  12          HD2       LYS  12  -0.100  -6.798 -10.381
   83   1HE   LYS  12          HE1       LYS  12   0.709  -6.036 -12.596
   84   2HE   LYS  12          HE2       LYS  12   1.665  -4.759 -11.818
   85   1HZ   LYS  12          HZ1       LYS  12   2.022  -7.642 -11.420
   86   2HZ   LYS  12          HZ2       LYS  12   2.984  -6.661 -12.332
   87   3HZ   LYS  12          HZ3       LYS  12   2.907  -6.454 -10.698
   88   1HN   NH2  13          HN1       NH2  13  -5.476  -4.992  -7.724
   89   2HN   NH2  13          HN2       NH2  13  -4.854  -5.519  -9.275
  Start of MODEL   15
    1   1H    SER   1          H1        SER   1  -6.166  -1.335  -8.339
    2   2H    SER   1          H2        SER   1  -5.225  -2.692  -8.417
    3   3H    SER   1          H3        SER   1  -6.593  -2.694  -7.503
    4    HA   SER   1           HA       SER   1  -5.725  -1.111  -6.010
    5   1HB   SER   1          HB1       SER   1  -3.861  -3.472  -6.462
    6   2HB   SER   1          HB2       SER   1  -3.970  -2.504  -4.977
    7    HG   SER   1           HG       SER   1  -6.171  -3.134  -4.845
    8    H    CYS   2           H        CYS   2  -5.097   0.867  -6.786
    9    HA   CYS   2           HA       CYS   2  -2.465   1.293  -8.067
   10   1HB   CYS   2          HB1       CYS   2  -4.750   3.111  -7.351
   11   2HB   CYS   2          HB2       CYS   2  -3.222   3.647  -8.041
   12    H    HIS   3           H        HIS   3  -0.827   1.024  -6.751
   13    HA   HIS   3           HA       HIS   3  -0.589   2.651  -4.290
   14   1HB   HIS   3          HB1       HIS   3   0.314   0.647  -3.101
   15   2HB   HIS   3          HB2       HIS   3  -1.401   0.497  -3.488
   16    HD2  HIS   3           HD2      HIS   3   2.038  -0.886  -4.932
   17    HE1  HIS   3           HE1      HIS   3  -1.100  -3.455  -6.097
   18    HE2  HIS   3           HE2      HIS   3   1.423  -3.103  -6.163
   19    H    PHE   4           H        PHE   4   1.770   2.699  -3.609
   20    HA   PHE   4           HA       PHE   4   3.536   2.726  -5.960
   21   1HB   PHE   4          HB1       PHE   4   3.657   4.480  -4.194
   22   2HB   PHE   4          HB2       PHE   4   4.211   3.256  -3.052
   23    HD1  PHE   4           HD1      PHE   4   5.059   5.221  -6.080
   24    HD2  PHE   4           HD2      PHE   4   6.474   2.240  -3.301
   25    HE1  PHE   4           HE1      PHE   4   7.327   5.378  -7.062
   26    HE2  PHE   4           HE2      PHE   4   8.729   2.371  -4.319
   27    HZ   PHE   4           HZ       PHE   4   9.160   3.934  -6.202
   28    H    GLY   5           H        GLY   5   5.035   1.158  -6.446
   29   1HA   GLY   5          HA1       GLY   5   5.631  -1.029  -4.559
   30   2HA   GLY   5          HA2       GLY   5   4.733  -1.438  -6.039
   31    HA   PRO   6           HA       PRO   6   9.346  -1.896  -6.642
   32   1HB   PRO   6          HB1       PRO   6   8.159  -3.924  -8.555
   33   2HB   PRO   6          HB2       PRO   6   9.665  -4.041  -7.599
   34   1HG   PRO   6          HG1       PRO   6   7.427  -5.264  -6.705
   35   2HG   PRO   6          HG2       PRO   6   8.407  -4.296  -5.560
   36   1HD   PRO   6          HD1       PRO   6   5.874  -3.472  -7.002
   37   2HD   PRO   6          HD2       PRO   6   6.318  -3.254  -5.283
   38    H    LEU   7           H        LEU   7   6.825  -1.831  -9.213
   39    HA   LEU   7           HA       LEU   7   8.722  -0.525 -11.104
   40   1HB   LEU   7          HB1       LEU   7   5.939  -1.664 -11.541
   41   2HB   LEU   7          HB2       LEU   7   7.057  -1.089 -12.786
   42    HG   LEU   7           HG       LEU   7   7.466  -3.512 -10.970
   43   1HD1  LEU   7          HD11      LEU   7   5.734  -3.812 -12.699
   44   2HD1  LEU   7          HD12      LEU   7   6.886  -3.300 -13.952
   45   3HD1  LEU   7          HD13      LEU   7   7.167  -4.798 -13.039
   46   1HD2  LEU   7          HD21      LEU   7   9.209  -2.398 -13.217
   47   2HD2  LEU   7          HD22      LEU   7   9.659  -2.553 -11.502
   48   3HD2  LEU   7          HD23      LEU   7   9.404  -4.001 -12.479
   49    H    GLY   8           H        GLY   8   8.414   1.227  -9.266
   50   1HA   GLY   8          HA1       GLY   8   7.789   3.373  -8.829
   51   2HA   GLY   8          HA2       GLY   8   7.156   3.462 -10.481
   52    H    TRP   9           H        TRP   9   4.999   3.898 -10.567
   53    HA   TRP   9           HA       TRP   9   3.243   3.254  -8.279
   54   1HB   TRP   9          HB1       TRP   9   3.180   5.485  -9.396
   55   2HB   TRP   9          HB2       TRP   9   2.578   4.699 -10.857
   56    HD1  TRP   9           HD1      TRP   9   0.014   4.459 -10.976
   57    HE1  TRP   9           HE1      TRP   9  -1.970   4.782  -9.354
   58    HE3  TRP   9           HE3      TRP   9   2.604   5.152  -6.615
   59    HZ2  TRP   9           HZ2      TRP   9  -2.369   5.265  -6.555
   60    HZ3  TRP   9           HZ3      TRP   9   1.390   5.522  -4.488
   61    HH2  TRP   9           HH2      TRP   9  -1.090   5.564  -4.447
   62    H    VAL  10           H        VAL  10   1.875   1.573  -8.306
   63    HA   VAL  10           HA       VAL  10   1.762  -0.204 -10.706
   64    HB   VAL  10           HB       VAL  10   2.080  -0.912  -7.761
   65   1HG1  VAL  10          HG11      VAL  10   1.906  -2.685 -10.239
   66   2HG1  VAL  10          HG12      VAL  10   2.309  -3.240  -8.601
   67   3HG1  VAL  10          HG13      VAL  10   0.701  -2.591  -8.937
   68   1HG2  VAL  10          HG21      VAL  10   4.001  -1.142 -10.110
   69   2HG2  VAL  10          HG22      VAL  10   4.194  -0.100  -8.683
   70   3HG2  VAL  10          HG23      VAL  10   4.263  -1.857  -8.507
   71    H    CYS  11           H        CYS  11  -0.261   0.044 -11.447
   72    HA   CYS  11           HA       CYS  11  -2.616  -0.096  -9.606
   73   1HB   CYS  11          HB1       CYS  11  -2.294   0.774 -12.466
   74   2HB   CYS  11          HB2       CYS  11  -3.858   0.448 -11.719
   75    H    LYS  12           H        LYS  12  -2.184  -2.243  -9.050
   76    HA   LYS  12           HA       LYS  12  -2.220  -4.336 -11.098
   77   1HB   LYS  12          HB1       LYS  12  -0.876  -4.488  -9.025
   78   2HB   LYS  12          HB2       LYS  12  -2.358  -4.502  -8.061
   79   1HG   LYS  12          HG1       LYS  12  -3.058  -6.603  -9.213
   80   2HG   LYS  12          HG2       LYS  12  -1.571  -6.555 -10.182
   81   1HD   LYS  12          HD1       LYS  12  -0.217  -6.674  -8.103
   82   2HD   LYS  12          HD2       LYS  12  -1.700  -6.751  -7.135
   83   1HE   LYS  12          HE1       LYS  12  -0.865  -8.792  -9.251
   84   2HE   LYS  12          HE2       LYS  12  -0.655  -8.982  -7.502
   85   1HZ   LYS  12          HZ1       LYS  12  -3.024  -8.841  -7.257
   86   2HZ   LYS  12          HZ2       LYS  12  -3.223  -8.701  -8.888
   87   3HZ   LYS  12          HZ3       LYS  12  -2.602 -10.087  -8.251
   88   1HN   NH2  13          HN1       NH2  13  -5.787  -4.075 -11.373
   89   2HN   NH2  13          HN2       NH2  13  -4.261  -3.590 -12.092
  Start of MODEL   16
    1   1H    SER   1          H1        SER   1  -4.709  -3.090  -8.027
    2   2H    SER   1          H2        SER   1  -6.242  -3.101  -7.417
    3   3H    SER   1          H3        SER   1  -5.802  -1.956  -8.526
    4    HA   SER   1           HA       SER   1  -5.906  -1.021  -6.358
    5   1HB   SER   1          HB1       SER   1  -3.781  -3.095  -5.683
    6   2HB   SER   1          HB2       SER   1  -4.330  -1.786  -4.617
    7    HG   SER   1           HG       SER   1  -6.431  -2.698  -4.740
    8    H    CYS   2           H        CYS   2  -5.061   0.916  -6.766
    9    HA   CYS   2           HA       CYS   2  -2.434   1.275  -8.090
   10   1HB   CYS   2          HB1       CYS   2  -4.694   3.138  -7.398
   11   2HB   CYS   2          HB2       CYS   2  -3.150   3.648  -8.074
   12    H    HIS   3           H        HIS   3  -0.806   0.992  -6.744
   13    HA   HIS   3           HA       HIS   3  -0.569   2.656  -4.304
   14   1HB   HIS   3          HB1       HIS   3   0.284   0.655  -3.075
   15   2HB   HIS   3          HB2       HIS   3  -1.429   0.524  -3.483
   16    HD2  HIS   3           HD2      HIS   3   2.017  -0.970  -4.768
   17    HE1  HIS   3           HE1      HIS   3  -1.145  -3.410  -6.137
   18    HE2  HIS   3           HE2      HIS   3   1.390  -3.157  -6.050
   19    H    PHE   4           H        PHE   4   1.762   2.778  -3.635
   20    HA   PHE   4           HA       PHE   4   3.541   2.730  -5.957
   21   1HB   PHE   4          HB1       PHE   4   3.655   4.500  -4.204
   22   2HB   PHE   4          HB2       PHE   4   4.216   3.286  -3.054
   23    HD1  PHE   4           HD1      PHE   4   5.048   5.234  -6.097
   24    HD2  PHE   4           HD2      PHE   4   6.484   2.279  -3.301
   25    HE1  PHE   4           HE1      PHE   4   7.313   5.391  -7.088
   26    HE2  PHE   4           HE2      PHE   4   8.735   2.409  -4.328
   27    HZ   PHE   4           HZ       PHE   4   9.153   3.960  -6.224
   28    H    GLY   5           H        GLY   5   5.061   1.172  -6.418
   29   1HA   GLY   5          HA1       GLY   5   5.690  -0.980  -4.514
   30   2HA   GLY   5          HA2       GLY   5   4.752  -1.431  -5.955
   31    HA   PRO   6           HA       PRO   6   9.342  -1.905  -6.682
   32   1HB   PRO   6          HB1       PRO   6   8.095  -3.938  -8.553
   33   2HB   PRO   6          HB2       PRO   6   9.627  -4.056  -7.639
   34   1HG   PRO   6          HG1       PRO   6   7.410  -5.260  -6.671
   35   2HG   PRO   6          HG2       PRO   6   8.426  -4.288  -5.562
   36   1HD   PRO   6          HD1       PRO   6   5.856  -3.466  -6.938
   37   2HD   PRO   6          HD2       PRO   6   6.351  -3.232  -5.235
   38    H    LEU   7           H        LEU   7   6.769  -1.841  -9.204
   39    HA   LEU   7           HA       LEU   7   8.636  -0.546 -11.133
   40   1HB   LEU   7          HB1       LEU   7   5.843  -1.677 -11.522
   41   2HB   LEU   7          HB2       LEU   7   6.944  -1.109 -12.785
   42    HG   LEU   7           HG       LEU   7   7.375  -3.528 -10.969
   43   1HD1  LEU   7          HD11      LEU   7   5.610  -3.830 -12.664
   44   2HD1  LEU   7          HD12      LEU   7   6.739  -3.325 -13.940
   45   3HD1  LEU   7          HD13      LEU   7   7.033  -4.821 -13.027
   46   1HD2  LEU   7          HD21      LEU   7   9.079  -2.430 -13.252
   47   2HD2  LEU   7          HD22      LEU   7   9.561  -2.577 -11.546
   48   3HD2  LEU   7          HD23      LEU   7   9.284  -4.030 -12.510
   49    H    GLY   8           H        GLY   8   8.373   1.209  -9.299
   50   1HA   GLY   8          HA1       GLY   8   7.762   3.353  -8.840
   51   2HA   GLY   8          HA2       GLY   8   7.119   3.451 -10.488
   52    H    TRP   9           H        TRP   9   4.965   3.887 -10.575
   53    HA   TRP   9           HA       TRP   9   3.214   3.292  -8.270
   54   1HB   TRP   9          HB1       TRP   9   3.174   5.512  -9.398
   55   2HB   TRP   9          HB2       TRP   9   2.571   4.727 -10.859
   56    HD1  TRP   9           HD1      TRP   9   0.009   4.585 -11.008
   57    HE1  TRP   9           HE1      TRP   9  -1.983   4.923  -9.399
   58    HE3  TRP   9           HE3      TRP   9   2.569   5.120  -6.604
   59    HZ2  TRP   9           HZ2      TRP   9  -2.401   5.356  -6.597
   60    HZ3  TRP   9           HZ3      TRP   9   1.341   5.480  -4.484
   61    HH2  TRP   9           HH2      TRP   9  -1.138   5.579  -4.468
   62    H    VAL  10           H        VAL  10   1.944   1.548  -8.246
   63    HA   VAL  10           HA       VAL  10   1.820  -0.227 -10.645
   64    HB   VAL  10           HB       VAL  10   2.085  -0.919  -7.691
   65   1HG1  VAL  10          HG11      VAL  10   2.015  -2.686 -10.175
   66   2HG1  VAL  10          HG12      VAL  10   2.373  -3.239  -8.526
   67   3HG1  VAL  10          HG13      VAL  10   0.765  -2.618  -8.913
   68   1HG2  VAL  10          HG21      VAL  10   4.061  -1.101 -10.000
   69   2HG2  VAL  10          HG22      VAL  10   4.206  -0.067  -8.563
   70   3HG2  VAL  10          HG23      VAL  10   4.303  -1.824  -8.398
   71    H    CYS  11           H        CYS  11  -0.185   0.089 -11.423
   72    HA   CYS  11           HA       CYS  11  -2.584  -0.141  -9.650
   73   1HB   CYS  11          HB1       CYS  11  -2.203   0.794 -12.487
   74   2HB   CYS  11          HB2       CYS  11  -3.779   0.473 -11.762
   75    H    LYS  12           H        LYS  12  -2.082  -2.345  -9.185
   76    HA   LYS  12           HA       LYS  12  -3.070  -4.197 -11.273
   77   1HB   LYS  12          HB1       LYS  12  -0.498  -4.647  -9.689
   78   2HB   LYS  12          HB2       LYS  12  -1.327  -5.831 -10.712
   79   1HG   LYS  12          HG1       LYS  12  -0.982  -4.320 -12.691
   80   2HG   LYS  12          HG2       LYS  12  -0.092  -3.207 -11.649
   81   1HD   LYS  12          HD1       LYS  12   1.497  -4.527 -12.864
   82   2HD   LYS  12          HD2       LYS  12   1.586  -4.941 -11.149
   83   1HE   LYS  12          HE1       LYS  12   1.776  -6.922 -12.601
   84   2HE   LYS  12          HE2       LYS  12   0.360  -7.040 -11.555
   85   1HZ   LYS  12          HZ1       LYS  12   0.351  -6.194 -14.370
   86   2HZ   LYS  12          HZ2       LYS  12  -0.105  -7.675 -13.806
   87   3HZ   LYS  12          HZ3       LYS  12  -0.980  -6.338 -13.406
   88   1HN   NH2  13          HN1       NH2  13  -4.549  -6.098  -8.687
   89   2HN   NH2  13          HN2       NH2  13  -4.156  -6.004 -10.391
  Start of MODEL   17
    1   1H    SER   1          H1        SER   1  -6.812  -1.633  -8.447
    2   2H    SER   1          H2        SER   1  -8.059  -1.245  -7.435
    3   3H    SER   1          H3        SER   1  -7.476  -0.126  -8.500
    4    HA   SER   1           HA       SER   1  -6.734   0.362  -6.323
    5   1HB   SER   1          HB1       SER   1  -5.272  -1.177  -5.113
    6   2HB   SER   1          HB2       SER   1  -6.821  -1.963  -5.468
    7    HG   SER   1           HG       SER   1  -5.695  -2.853  -7.365
    8    H    CYS   2           H        CYS   2  -4.753   1.457  -6.044
    9    HA   CYS   2           HA       CYS   2  -2.516   0.919  -7.853
   10   1HB   CYS   2          HB1       CYS   2  -3.856   3.627  -7.660
   11   2HB   CYS   2          HB2       CYS   2  -2.274   3.313  -8.387
   12    H    HIS   3           H        HIS   3  -0.569   1.429  -6.986
   13    HA   HIS   3           HA       HIS   3  -0.316   2.665  -4.335
   14   1HB   HIS   3          HB1       HIS   3   0.536   0.495  -3.380
   15   2HB   HIS   3          HB2       HIS   3  -1.194   0.486  -3.729
   16    HD2  HIS   3           HD2      HIS   3   2.111  -1.157  -5.065
   17    HE1  HIS   3           HE1      HIS   3  -1.174  -2.933  -7.055
   18    HE2  HIS   3           HE2      HIS   3   1.358  -3.045  -6.719
   19    H    PHE   4           H        PHE   4   1.962   2.636  -3.629
   20    HA   PHE   4           HA       PHE   4   3.875   2.834  -5.838
   21   1HB   PHE   4          HB1       PHE   4   4.195   3.110  -2.833
   22   2HB   PHE   4          HB2       PHE   4   5.471   3.362  -4.020
   23    HD1  PHE   4           HD1      PHE   4   5.118   5.133  -5.861
   24    HD2  PHE   4           HD2      PHE   4   2.701   4.920  -2.294
   25    HE1  PHE   4           HE1      PHE   4   4.328   7.451  -6.253
   26    HE2  PHE   4           HE2      PHE   4   1.931   7.243  -2.683
   27    HZ   PHE   4           HZ       PHE   4   2.729   8.506  -4.669
   28    H    GLY   5           H        GLY   5   4.225   0.866  -6.736
   29   1HA   GLY   5          HA1       GLY   5   4.869  -1.518  -5.060
   30   2HA   GLY   5          HA2       GLY   5   4.378  -1.472  -6.761
   31    HA   PRO   6           HA       PRO   6   9.051  -1.767  -6.419
   32   1HB   PRO   6          HB1       PRO   6   9.425  -3.819  -8.217
   33   2HB   PRO   6          HB2       PRO   6   9.050  -4.057  -6.487
   34   1HG   PRO   6          HG1       PRO   6   7.112  -4.082  -8.811
   35   2HG   PRO   6          HG2       PRO   6   7.256  -5.275  -7.488
   36   1HD   PRO   6          HD1       PRO   6   5.405  -3.311  -7.421
   37   2HD   PRO   6          HD2       PRO   6   6.263  -3.775  -5.924
   38    H    LEU   7           H        LEU   7   6.896  -1.823  -9.285
   39    HA   LEU   7           HA       LEU   7   8.907  -0.308 -10.886
   40   1HB   LEU   7          HB1       LEU   7   6.292  -1.615 -11.706
   41   2HB   LEU   7          HB2       LEU   7   7.487  -0.875 -12.781
   42    HG   LEU   7           HG       LEU   7   7.915  -3.370 -11.069
   43   1HD1  LEU   7          HD11      LEU   7   6.387  -3.703 -12.976
   44   2HD1  LEU   7          HD12      LEU   7   7.605  -3.021 -14.077
   45   3HD1  LEU   7          HD13      LEU   7   7.927  -4.545 -13.223
   46   1HD2  LEU   7          HD21      LEU   7   9.761  -1.983 -13.066
   47   2HD2  LEU   7          HD22      LEU   7  10.057  -2.206 -11.325
   48   3HD2  LEU   7          HD23      LEU   7  10.022  -3.607 -12.399
   49    H    GLY   8           H        GLY   8   8.094   1.214  -8.861
   50   1HA   GLY   8          HA1       GLY   8   7.423   3.371  -8.536
   51   2HA   GLY   8          HA2       GLY   8   6.987   3.465 -10.251
   52    H    TRP   9           H        TRP   9   4.897   4.218 -10.288
   53    HA   TRP   9           HA       TRP   9   2.952   3.469  -8.244
   54   1HB   TRP   9          HB1       TRP   9   3.119   5.732  -9.197
   55   2HB   TRP   9          HB2       TRP   9   2.652   5.112 -10.777
   56    HD1  TRP   9           HD1      TRP   9   0.174   5.412 -11.261
   57    HE1  TRP   9           HE1      TRP   9  -1.987   5.807  -9.900
   58    HE3  TRP   9           HE3      TRP   9   2.057   4.901  -6.523
   59    HZ2  TRP   9           HZ2      TRP   9  -2.767   5.939  -7.157
   60    HZ3  TRP   9           HZ3      TRP   9   0.564   5.127  -4.562
   61    HH2  TRP   9           HH2      TRP   9  -1.841   5.648  -4.864
   62    H    VAL  10           H        VAL  10   2.503   1.313  -8.392
   63    HA   VAL  10           HA       VAL  10   1.876   0.065 -11.017
   64    HB   VAL  10           HB       VAL  10   2.490  -1.082  -8.263
   65   1HG1  VAL  10          HG11      VAL  10   1.920  -2.507 -10.900
   66   2HG1  VAL  10          HG12      VAL  10   2.571  -3.281  -9.440
   67   3HG1  VAL  10          HG13      VAL  10   0.944  -2.598  -9.416
   68   1HG2  VAL  10          HG21      VAL  10   4.073  -1.048 -10.870
   69   2HG2  VAL  10          HG22      VAL  10   4.483  -0.165  -9.387
   70   3HG2  VAL  10          HG23      VAL  10   4.544  -1.929  -9.403
   71    H    CYS  11           H        CYS  11  -0.142  -0.691 -11.464
   72    HA   CYS  11           HA       CYS  11  -2.269  -0.474  -9.392
   73   1HB   CYS  11          HB1       CYS  11  -2.438   0.059 -12.366
   74   2HB   CYS  11          HB2       CYS  11  -3.816   0.057 -11.269
   75    H    LYS  12           H        LYS  12  -3.803  -2.056  -9.330
   76    HA   LYS  12           HA       LYS  12  -3.561  -4.421 -11.090
   77   1HB   LYS  12          HB1       LYS  12  -3.396  -4.464  -8.042
   78   2HB   LYS  12          HB2       LYS  12  -3.639  -5.895  -9.046
   79   1HG   LYS  12          HG1       LYS  12  -1.163  -4.114  -9.163
   80   2HG   LYS  12          HG2       LYS  12  -1.313  -5.606  -8.233
   81   1HD   LYS  12          HD1       LYS  12  -1.737  -6.889 -10.309
   82   2HD   LYS  12          HD2       LYS  12  -1.547  -5.408 -11.269
   83   1HE   LYS  12          HE1       LYS  12   0.760  -5.138 -10.414
   84   2HE   LYS  12          HE2       LYS  12   0.587  -6.635  -9.475
   85   1HZ   LYS  12          HZ1       LYS  12   0.413  -6.407 -12.395
   86   2HZ   LYS  12          HZ2       LYS  12   1.693  -7.002 -11.544
   87   3HZ   LYS  12          HZ3       LYS  12   0.251  -7.801 -11.528
   88   1HN   NH2  13          HN1       NH2  13  -6.999  -5.021 -10.548
   89   2HN   NH2  13          HN2       NH2  13  -5.490  -5.668 -11.158
  Start of MODEL   18
    1   1H    SER   1          H1        SER   1  -8.230  -0.799  -7.654
    2   2H    SER   1          H2        SER   1  -7.471   0.220  -8.708
    3   3H    SER   1          H3        SER   1  -6.963  -1.343  -8.568
    4    HA   SER   1           HA       SER   1  -6.830   0.702  -6.488
    5   1HB   SER   1          HB1       SER   1  -5.770  -2.158  -6.486
    6   2HB   SER   1          HB2       SER   1  -5.540  -0.959  -5.197
    7    HG   SER   1           HG       SER   1  -8.004  -2.031  -6.111
    8    H    CYS   2           H        CYS   2  -4.809   1.680  -6.168
    9    HA   CYS   2           HA       CYS   2  -2.525   0.870  -7.822
   10   1HB   CYS   2          HB1       CYS   2  -3.621   3.690  -7.772
   11   2HB   CYS   2          HB2       CYS   2  -2.072   3.196  -8.473
   12    H    HIS   3           H        HIS   3  -0.549   1.440  -6.984
   13    HA   HIS   3           HA       HIS   3  -0.319   2.650  -4.320
   14   1HB   HIS   3          HB1       HIS   3   0.506   0.487  -3.360
   15   2HB   HIS   3          HB2       HIS   3  -1.211   0.450  -3.765
   16    HD2  HIS   3           HD2      HIS   3   2.156  -1.166  -4.937
   17    HE1  HIS   3           HE1      HIS   3  -0.996  -2.922  -7.146
   18    HE2  HIS   3           HE2      HIS   3   1.511  -3.034  -6.655
   19    H    PHE   4           H        PHE   4   1.957   2.603  -3.597
   20    HA   PHE   4           HA       PHE   4   3.884   2.839  -5.786
   21   1HB   PHE   4          HB1       PHE   4   4.196   3.040  -2.773
   22   2HB   PHE   4          HB2       PHE   4   5.465   3.345  -3.957
   23    HD1  PHE   4           HD1      PHE   4   5.058   5.165  -5.752
   24    HD2  PHE   4           HD2      PHE   4   2.703   4.816  -2.154
   25    HE1  PHE   4           HE1      PHE   4   4.237   7.485  -6.059
   26    HE2  PHE   4           HE2      PHE   4   1.904   7.142  -2.457
   27    HZ   PHE   4           HZ       PHE   4   2.654   8.474  -4.417
   28    H    GLY   5           H        GLY   5   4.229   0.881  -6.720
   29   1HA   GLY   5          HA1       GLY   5   4.866  -1.530  -5.080
   30   2HA   GLY   5          HA2       GLY   5   4.376  -1.457  -6.780
   31    HA   PRO   6           HA       PRO   6   9.050  -1.770  -6.433
   32   1HB   PRO   6          HB1       PRO   6   9.419  -3.814  -8.242
   33   2HB   PRO   6          HB2       PRO   6   9.046  -4.059  -6.513
   34   1HG   PRO   6          HG1       PRO   6   7.103  -4.070  -8.833
   35   2HG   PRO   6          HG2       PRO   6   7.248  -5.270  -7.517
   36   1HD   PRO   6          HD1       PRO   6   5.400  -3.304  -7.434
   37   2HD   PRO   6          HD2       PRO   6   6.263  -3.775  -5.942
   38    H    LEU   7           H        LEU   7   6.895  -1.812  -9.300
   39    HA   LEU   7           HA       LEU   7   8.905  -0.287 -10.891
   40   1HB   LEU   7          HB1       LEU   7   6.293  -1.594 -11.720
   41   2HB   LEU   7          HB2       LEU   7   7.488  -0.847 -12.790
   42    HG   LEU   7           HG       LEU   7   7.918  -3.349 -11.091
   43   1HD1  LEU   7          HD11      LEU   7   6.392  -3.675 -13.000
   44   2HD1  LEU   7          HD12      LEU   7   7.608  -2.986 -14.098
   45   3HD1  LEU   7          HD13      LEU   7   7.932  -4.514 -13.251
   46   1HD2  LEU   7          HD21      LEU   7   9.763  -1.950 -13.080
   47   2HD2  LEU   7          HD22      LEU   7  10.058  -2.182 -11.341
   48   3HD2  LEU   7          HD23      LEU   7  10.026  -3.578 -12.421
   49    H    GLY   8           H        GLY   8   8.091   1.223  -8.860
   50   1HA   GLY   8          HA1       GLY   8   7.422   3.379  -8.526
   51   2HA   GLY   8          HA2       GLY   8   6.984   3.480 -10.240
   52    H    TRP   9           H        TRP   9   4.889   4.210 -10.295
   53    HA   TRP   9           HA       TRP   9   2.948   3.464  -8.243
   54   1HB   TRP   9          HB1       TRP   9   3.116   5.729  -9.201
   55   2HB   TRP   9          HB2       TRP   9   2.633   5.105 -10.774
   56    HD1  TRP   9           HD1      TRP   9   0.150   5.419 -11.232
   57    HE1  TRP   9           HE1      TRP   9  -1.995   5.818  -9.847
   58    HE3  TRP   9           HE3      TRP   9   2.082   4.891  -6.516
   59    HZ2  TRP   9           HZ2      TRP   9  -2.746   5.945  -7.095
   60    HZ3  TRP   9           HZ3      TRP   9   0.611   5.113  -4.539
   61    HH2  TRP   9           HH2      TRP   9  -1.796   5.641  -4.813
   62    H    VAL  10           H        VAL  10   2.498   1.307  -8.392
   63    HA   VAL  10           HA       VAL  10   1.879   0.065 -11.023
   64    HB   VAL  10           HB       VAL  10   2.485  -1.098  -8.274
   65   1HG1  VAL  10          HG11      VAL  10   1.955  -2.500 -10.931
   66   2HG1  VAL  10          HG12      VAL  10   2.596  -3.284  -9.474
   67   3HG1  VAL  10          HG13      VAL  10   0.963  -2.614  -9.460
   68   1HG2  VAL  10          HG21      VAL  10   4.092  -1.017 -10.866
   69   2HG2  VAL  10          HG22      VAL  10   4.483  -0.156  -9.364
   70   3HG2  VAL  10          HG23      VAL  10   4.556  -1.920  -9.409
   71    H    CYS  11           H        CYS  11  -0.117  -0.823 -11.431
   72    HA   CYS  11           HA       CYS  11  -2.273  -0.474  -9.406
   73   1HB   CYS  11          HB1       CYS  11  -2.388  -0.030 -12.396
   74   2HB   CYS  11          HB2       CYS  11  -3.778   0.038 -11.314
   75    H    LYS  12           H        LYS  12  -3.906  -1.967  -9.388
   76    HA   LYS  12           HA       LYS  12  -3.737  -4.377 -11.080
   77   1HB   LYS  12          HB1       LYS  12  -3.623  -4.397  -8.028
   78   2HB   LYS  12          HB2       LYS  12  -3.996  -5.807  -9.034
   79   1HG   LYS  12          HG1       LYS  12  -1.782  -5.614 -10.141
   80   2HG   LYS  12          HG2       LYS  12  -1.383  -4.244  -9.086
   81   1HD   LYS  12          HD1       LYS  12  -1.654  -5.696  -7.087
   82   2HD   LYS  12          HD2       LYS  12  -2.095  -7.054  -8.136
   83   1HE   LYS  12          HE1       LYS  12   0.225  -7.287  -7.484
   84   2HE   LYS  12          HE2       LYS  12   0.149  -6.939  -9.220
   85   1HZ   LYS  12          HZ1       LYS  12   0.721  -4.989  -7.099
   86   2HZ   LYS  12          HZ2       LYS  12   1.834  -5.673  -8.106
   87   3HZ   LYS  12          HZ3       LYS  12   0.679  -4.667  -8.716
   88   1HN   NH2  13          HN1       NH2  13  -7.239  -4.687 -10.657
   89   2HN   NH2  13          HN2       NH2  13  -5.769  -5.427 -11.254
  Start of MODEL   19
    1   1H    SER   1          H1        SER   1  -6.767   1.478  -5.253
    2   2H    SER   1          H2        SER   1  -8.236   0.752  -5.423
    3   3H    SER   1          H3        SER   1  -6.864  -0.165  -5.359
    4    HA   SER   1           HA       SER   1  -7.679  -0.061  -7.564
    5   1HB   SER   1          HB1       SER   1  -7.302   2.949  -7.282
    6   2HB   SER   1          HB2       SER   1  -7.749   2.084  -8.767
    7    HG   SER   1           HG       SER   1  -9.613   1.341  -7.656
    8    H    CYS   2           H        CYS   2  -5.177   2.275  -6.421
    9    HA   CYS   2           HA       CYS   2  -3.104   0.604  -7.643
   10   1HB   CYS   2          HB1       CYS   2  -3.262   3.601  -8.122
   11   2HB   CYS   2          HB2       CYS   2  -2.014   2.507  -8.731
   12    H    HIS   3           H        HIS   3  -0.906   1.417  -7.015
   13    HA   HIS   3           HA       HIS   3  -0.690   2.593  -4.333
   14   1HB   HIS   3          HB1       HIS   3   0.198   0.404  -3.441
   15   2HB   HIS   3          HB2       HIS   3  -1.528   0.382  -3.793
   16    HD2  HIS   3           HD2      HIS   3   1.789  -1.224  -5.129
   17    HE1  HIS   3           HE1      HIS   3  -1.455  -2.967  -7.200
   18    HE2  HIS   3           HE2      HIS   3   1.062  -3.088  -6.809
   19    H    PHE   4           H        PHE   4   1.685   2.264  -3.587
   20    HA   PHE   4           HA       PHE   4   3.504   2.608  -5.904
   21   1HB   PHE   4          HB1       PHE   4   3.627   4.190  -3.998
   22   2HB   PHE   4          HB2       PHE   4   4.093   2.853  -2.944
   23    HD1  PHE   4           HD1      PHE   4   5.084   4.869  -5.925
   24    HD2  PHE   4           HD2      PHE   4   6.357   1.910  -3.057
   25    HE1  PHE   4           HE1      PHE   4   7.394   4.998  -6.812
   26    HE2  PHE   4           HE2      PHE   4   8.658   2.021  -3.972
   27    HZ   PHE   4           HZ       PHE   4   9.179   3.554  -5.856
   28    H    GLY   5           H        GLY   5   5.072   1.119  -6.423
   29   1HA   GLY   5          HA1       GLY   5   5.460  -1.331  -4.826
   30   2HA   GLY   5          HA2       GLY   5   4.699  -1.480  -6.426
   31    HA   PRO   6           HA       PRO   6   9.383  -1.585  -6.639
   32   1HB   PRO   6          HB1       PRO   6   9.671  -3.790  -8.268
   33   2HB   PRO   6          HB2       PRO   6   9.478  -3.856  -6.496
   34   1HG   PRO   6          HG1       PRO   6   7.317  -4.185  -8.586
   35   2HG   PRO   6          HG2       PRO   6   7.645  -5.227  -7.172
   36   1HD   PRO   6          HD1       PRO   6   5.730  -3.325  -7.115
   37   2HD   PRO   6          HD2       PRO   6   6.756  -3.597  -5.677
   38    H    LEU   7           H        LEU   7   6.974  -1.845  -9.283
   39    HA   LEU   7           HA       LEU   7   8.820  -0.379 -11.129
   40   1HB   LEU   7          HB1       LEU   7   6.200  -1.857 -11.603
   41   2HB   LEU   7          HB2       LEU   7   7.035  -0.877 -12.805
   42    HG   LEU   7           HG       LEU   7   7.467  -3.127 -13.272
   43   1HD1  LEU   7          HD11      LEU   7   9.342  -1.508 -13.596
   44   2HD1  LEU   7          HD12      LEU   7  10.033  -2.045 -12.046
   45   3HD1  LEU   7          HD13      LEU   7   9.866  -3.188 -13.386
   46   1HD2  LEU   7          HD21      LEU   7   7.093  -4.083 -10.999
   47   2HD2  LEU   7          HD22      LEU   7   8.499  -4.743 -11.855
   48   3HD2  LEU   7          HD23      LEU   7   8.742  -3.570 -10.556
   49    H    GLY   8           H        GLY   8   8.430   1.275  -9.278
   50   1HA   GLY   8          HA1       GLY   8   7.712   3.382  -8.807
   51   2HA   GLY   8          HA2       GLY   8   7.082   3.450 -10.461
   52    H    TRP   9           H        TRP   9   4.975   4.101 -10.380
   53    HA   TRP   9           HA       TRP   9   3.219   3.346  -8.145
   54   1HB   TRP   9          HB1       TRP   9   3.213   5.620  -9.093
   55   2HB   TRP   9          HB2       TRP   9   2.650   4.978 -10.635
   56    HD1  TRP   9           HD1      TRP   9   0.093   4.780 -10.885
   57    HE1  TRP   9           HE1      TRP   9  -1.958   5.039  -9.335
   58    HE3  TRP   9           HE3      TRP   9   2.496   5.170  -6.379
   59    HZ2  TRP   9           HZ2      TRP   9  -2.477   5.318  -6.533
   60    HZ3  TRP   9           HZ3      TRP   9   1.192   5.413  -4.289
   61    HH2  TRP   9           HH2      TRP   9  -1.289   5.474  -4.353
   62    H    VAL  10           H        VAL  10   2.509   1.288  -8.210
   63    HA   VAL  10           HA       VAL  10   1.991  -0.069 -10.807
   64    HB   VAL  10           HB       VAL  10   2.387  -1.135  -7.982
   65   1HG1  VAL  10          HG11      VAL  10   2.020  -2.606 -10.633
   66   2HG1  VAL  10          HG12      VAL  10   2.478  -3.360  -9.092
   67   3HG1  VAL  10          HG13      VAL  10   0.884  -2.622  -9.268
   68   1HG2  VAL  10          HG21      VAL  10   4.172  -1.177 -10.450
   69   2HG2  VAL  10          HG22      VAL  10   4.487  -0.295  -8.940
   70   3HG2  VAL  10          HG23      VAL  10   4.496  -2.063  -8.947
   71    H    CYS  11           H        CYS  11  -0.068  -0.569 -11.392
   72    HA   CYS  11           HA       CYS  11  -2.273   0.069  -9.509
   73   1HB   CYS  11          HB1       CYS  11  -2.106  -0.091 -12.505
   74   2HB   CYS  11          HB2       CYS  11  -3.648  -0.122 -11.646
   75    H    LYS  12           H        LYS  12  -3.923  -1.362  -9.093
   76    HA   LYS  12           HA       LYS  12  -3.028  -4.125  -8.947
   77   1HB   LYS  12          HB1       LYS  12  -4.037  -2.768  -7.094
   78   2HB   LYS  12          HB2       LYS  12  -5.598  -2.858  -7.921
   79   1HG   LYS  12          HG1       LYS  12  -5.414  -5.382  -7.826
   80   2HG   LYS  12          HG2       LYS  12  -3.921  -5.202  -6.895
   81   1HD   LYS  12          HD1       LYS  12  -6.679  -4.172  -6.076
   82   2HD   LYS  12          HD2       LYS  12  -5.906  -5.650  -5.483
   83   1HE   LYS  12          HE1       LYS  12  -4.025  -4.257  -4.562
   84   2HE   LYS  12          HE2       LYS  12  -4.921  -2.796  -5.030
   85   1HZ   LYS  12          HZ1       LYS  12  -5.870  -4.851  -3.178
   86   2HZ   LYS  12          HZ2       LYS  12  -5.296  -3.360  -2.771
   87   3HZ   LYS  12          HZ3       LYS  12  -6.699  -3.498  -3.626
   88   1HN   NH2  13          HN1       NH2  13  -4.603  -4.790 -12.136
   89   2HN   NH2  13          HN2       NH2  13  -3.097  -4.238 -11.421
  Start of MODEL   20
    1   1H    SER   1          H1        SER   1  -7.861   2.779  -6.391
    2   2H    SER   1          H2        SER   1  -6.818   1.551  -6.032
    3   3H    SER   1          H3        SER   1  -6.280   3.110  -6.066
    4    HA   SER   1           HA       SER   1  -7.299   1.577  -8.337
    5   1HB   SER   1          HB1       SER   1  -6.127   4.389  -8.281
    6   2HB   SER   1          HB2       SER   1  -6.619   3.488  -9.729
    7    HG   SER   1           HG       SER   1  -8.736   3.421  -8.849
    8    H    CYS   2           H        CYS   2  -4.404   3.269  -7.005
    9    HA   CYS   2           HA       CYS   2  -2.721   1.029  -7.912
   10   1HB   CYS   2          HB1       CYS   2  -1.907   3.921  -8.339
   11   2HB   CYS   2          HB2       CYS   2  -1.091   2.480  -8.937
   12    H    HIS   3           H        HIS   3  -0.933   0.660  -6.713
   13    HA   HIS   3           HA       HIS   3  -0.544   2.237  -4.204
   14   1HB   HIS   3          HB1       HIS   3   0.052   0.126  -3.123
   15   2HB   HIS   3          HB2       HIS   3  -1.611   0.077  -3.717
   16    HD2  HIS   3           HD2      HIS   3   1.796  -1.718  -4.239
   17    HE1  HIS   3           HE1      HIS   3  -0.977  -3.430  -6.937
   18    HE2  HIS   3           HE2      HIS   3   1.370  -3.651  -5.954
   19    H    PHE   4           H        PHE   4   1.666   2.599  -3.672
   20    HA   PHE   4           HA       PHE   4   3.463   2.502  -5.924
   21   1HB   PHE   4          HB1       PHE   4   3.427   4.277  -4.139
   22   2HB   PHE   4          HB2       PHE   4   4.188   3.116  -3.050
   23    HD1  PHE   4           HD1      PHE   4   4.570   5.105  -6.167
   24    HD2  PHE   4           HD2      PHE   4   6.553   2.443  -3.415
   25    HE1  PHE   4           HE1      PHE   4   6.736   5.573  -7.274
   26    HE2  PHE   4           HE2      PHE   4   8.708   2.872  -4.562
   27    HZ   PHE   4           HZ       PHE   4   8.806   4.438  -6.488
   28    H    GLY   5           H        GLY   5   5.267   1.189  -6.254
   29   1HA   GLY   5          HA1       GLY   5   6.024  -0.943  -4.430
   30   2HA   GLY   5          HA2       GLY   5   5.078  -1.482  -5.840
   31    HA   PRO   6           HA       PRO   6   9.657  -1.553  -6.778
   32   1HB   PRO   6          HB1       PRO   6   8.510  -3.712  -8.570
   33   2HB   PRO   6          HB2       PRO   6  10.088  -3.681  -7.730
   34   1HG   PRO   6          HG1       PRO   6   8.037  -5.072  -6.652
   35   2HG   PRO   6          HG2       PRO   6   9.013  -4.003  -5.598
   36   1HD   PRO   6          HD1       PRO   6   6.317  -3.425  -6.853
   37   2HD   PRO   6          HD2       PRO   6   6.867  -3.137  -5.176
   38    H    LEU   7           H        LEU   7   6.974  -1.792  -9.173
   39    HA   LEU   7           HA       LEU   7   8.585  -0.296 -11.187
   40   1HB   LEU   7          HB1       LEU   7   5.936  -1.762 -11.449
   41   2HB   LEU   7          HB2       LEU   7   6.898  -1.066 -12.761
   42    HG   LEU   7           HG       LEU   7   7.709  -3.409 -10.975
   43   1HD1  LEU   7          HD11      LEU   7   5.919  -3.929 -12.589
   44   2HD1  LEU   7          HD12      LEU   7   6.919  -3.292 -13.913
   45   3HD1  LEU   7          HD13      LEU   7   7.436  -4.738 -13.020
   46   1HD2  LEU   7          HD21      LEU   7   9.158  -2.111 -13.329
   47   2HD2  LEU   7          HD22      LEU   7   9.732  -2.198 -11.647
   48   3HD2  LEU   7          HD23      LEU   7   9.592  -3.674 -12.605
   49    H    GLY   8           H        GLY   8   8.211   1.436  -9.368
   50   1HA   GLY   8          HA1       GLY   8   7.352   3.484  -8.864
   51   2HA   GLY   8          HA2       GLY   8   6.645   3.498 -10.489
   52    H    TRP   9           H        TRP   9   4.503   3.987 -10.302
   53    HA   TRP   9           HA       TRP   9   2.852   2.980  -8.081
   54   1HB   TRP   9          HB1       TRP   9   2.293   4.730 -10.482
   55   2HB   TRP   9          HB2       TRP   9   1.032   4.105  -9.417
   56    HD1  TRP   9           HD1      TRP   9   3.660   6.787  -9.572
   57    HE1  TRP   9           HE1      TRP   9   3.592   8.231  -7.426
   58    HE3  TRP   9           HE3      TRP   9   0.470   3.942  -6.756
   59    HZ2  TRP   9           HZ2      TRP   9   2.373   8.127  -4.844
   60    HZ3  TRP   9           HZ3      TRP   9  -0.116   4.638  -4.451
   61    HH2  TRP   9           HH2      TRP   9   0.837   6.713  -3.482
   62    H    VAL  10           H        VAL  10   2.161   0.980  -8.105
   63    HA   VAL  10           HA       VAL  10   1.914  -0.558 -10.630
   64    HB   VAL  10           HB       VAL  10   1.970  -1.412  -7.704
   65   1HG1  VAL  10          HG11      VAL  10   2.029  -3.058 -10.273
   66   2HG1  VAL  10          HG12      VAL  10   2.241  -3.694  -8.628
   67   3HG1  VAL  10          HG13      VAL  10   0.688  -2.998  -9.109
   68   1HG2  VAL  10          HG21      VAL  10   4.099  -1.557  -9.878
   69   2HG2  VAL  10          HG22      VAL  10   4.166  -0.562  -8.408
   70   3HG2  VAL  10          HG23      VAL  10   4.213  -2.324  -8.281
   71    H    CYS  11           H        CYS  11  -0.076  -0.550 -11.486
   72    HA   CYS  11           HA       CYS  11  -2.395   0.240  -9.839
   73   1HB   CYS  11          HB1       CYS  11  -1.906   0.176 -12.814
   74   2HB   CYS  11          HB2       CYS  11  -3.429   0.655 -12.056
   75    H    LYS  12           H        LYS  12  -4.285  -0.864  -9.722
   76    HA   LYS  12           HA       LYS  12  -4.093  -3.755  -9.982
   77   1HB   LYS  12          HB1       LYS  12  -5.051  -2.555  -8.022
   78   2HB   LYS  12          HB2       LYS  12  -6.394  -2.001  -9.032
   79   1HG   LYS  12          HG1       LYS  12  -7.025  -4.388  -9.448
   80   2HG   LYS  12          HG2       LYS  12  -5.638  -4.907  -8.468
   81   1HD   LYS  12          HD1       LYS  12  -6.607  -3.768  -6.487
   82   2HD   LYS  12          HD2       LYS  12  -7.950  -3.175  -7.481
   83   1HE   LYS  12          HE1       LYS  12  -8.685  -5.105  -6.200
   84   2HE   LYS  12          HE2       LYS  12  -8.661  -5.518  -7.923
   85   1HZ   LYS  12          HZ1       LYS  12  -6.579  -6.199  -5.965
   86   2HZ   LYS  12          HZ2       LYS  12  -7.721  -7.231  -6.555
   87   3HZ   LYS  12          HZ3       LYS  12  -6.572  -6.614  -7.561
   88   1HN   NH2  13          HN1       NH2  13  -5.258  -3.585 -13.388
   89   2HN   NH2  13          HN2       NH2  13  -3.808  -3.601 -12.399